Vitas-M small molecule compound

methyl 4-[({[5-(benzylsulfanyl)-1,3,4-thiadiazol-2-yl]sulfanyl}acetyl)amino]benzoate

Catalog ID
STK546045
SMILES COC(=O)c1ccc(cc1)NC(=O)CSc1nnc(s1)SCc1ccccc1

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We supply compounds in quantities from 1 mg up to 5 g for research and development purposes only.

We do not supply quantities above 5 g.

Structure and other identifiers

2D representation rendered from the SMILES, with core physicochemical data.
Formula C19H17N3O3S3 MW 431.56 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H17N3O3S3/c1-25-17(24)14-7-9-15(10-8-14)20-16(23)12-27-19-22-21-18(28-19)26-11-13-5-3-2-4-6-13/h2-10H,11-12H2,1H3,(H,20,23)
InChIKey
QGEXZSPJZYTYES-UHFFFAOYSA-N
Synonyms
477330-85-1
477330851
COC(=O)C1=CC=C(C=C1)NC(=O)CSC2=NN=C(S2)SCC3=CC=CC=C3
InChI=1SC19H17N3O3S3c12517(24)147915(10814)2016(23)122719222118(2819)2611135324613h210H1112H21H3(H2023)
methyl4((((5(benzylsulfanyl)134thiadiazol2yl)sulfanyl)acetyl)amino)benzoate
METHYL4((2((5BENZYLSULFANYL134THIADIAZOL2YL)SULFANYL)ACETYL)AMINO)BENZOATE
METHYL4(2((5(BENZYLSULFANYL)134THIADIAZOL2YL)SULFANYL)ACETAMIDO)BENZOATE
METHYL4(2((5(BENZYLTHIO)134THIADIAZOL2YL)THIO)ACETAMIDO)BENZOATE
METHYL4(2(5(PHENYLMETHYLTHIO)134THIADIAZOL2YLTHIO)ACETYLAMINO)BENZOATE
MFCD03223701
ZINC000001833661
ZINC01833661
ZINC1833661

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Available files

Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.