MRS4596

Catalog No. :
ACMDWW247
CAS No. :
2840581-38-4
Molecular Formula :
C22H15N4NaO3S
Molecular Weight :
438.44

IUPAC Name:sodium 3-(3-(9-methyl-2,4-dioxo-1,2,3,4-tetrahydro-5H-naphtho[1,2-b][1,4]diazepin-5-yl)phenyl)-5-thioxo-1,2,4-oxadiazol-4-ide

MRS4596 structure diagram
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Product Information

Product NameMRS4596
IUPAC Namesodium 3-(3-(9-methyl-2,4-dioxo-1,2,3,4-tetrahydro-5H-naphtho[1,2-b][1,4]diazepin-5-yl)phenyl)-5-thioxo-1,2,4-oxadiazol-4-ide
Molecular FormulaC22H15N4NaO3S
Molecular Weight438.44
SMILESCC1=CC2=CC=C3C(=C2C=C1)NC(=O)CC(=O)N3C1=CC(C2=NOC(=S)[N-]2)=CC=C1.[Na+]
InChI KeyORUIERVVPUDNFZ-UHFFFAOYSA-M
Synonym1H-Naphtho[1,2-b][1,4]diazepine-2,4(3H,5H)-dione, 5-[3-(2,5-dihydro-5-thioxo-1,2,4-oxadiazol-3-yl)phenyl]-9-methyl-, sodium salt, ion(1-) (1:1)
CAS No.2840581-38-4

Synthetic Route by SureRoute

1. ACMDWW247 Molecular Building Block Synthetic Route

Source: SureRouteAuthor: aifchem

  1. reactant_1 route compound structure diagram
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  2. Then
  3. ACMDWW247 route product structure diagram
    ACMDWW2472840581-38-4
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2. ACMDWW247 Molecular Building Block Synthetic Route

Source: SureRouteAuthor: aifchem

  1. reactant_1 route compound structure diagram
    --
  2. Plus
  3. reactant_2 route compound structure diagram
    --
  4. Then
  5. ACMDWW247 route product structure diagram
    ACMDWW2472840581-38-4
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