Vitas-M small molecule compound

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

Catalog ID
STK001438
SMILES COC(=O)c1ccc(cc1)NC(=O)CSc1nnc(s1)SCc1ccc(cc1)Cl

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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 C19H16ClN3O3S3 MW 466.01 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H16ClN3O3S3/c1-26-17(25)13-4-8-15(9-5-13)21-16(24)11-28-19-23-22-18(29-19)27-10-12-2-6-14(20)7-3-12/h2-9H,10-11H2,1H3,(H,21,24)
InChIKey
WKUCWIRUACXDCR-UHFFFAOYSA-N
Synonyms
499101-82-5
499101825
COC(=O)C1=CC=C(C=C1)NC(=O)CSC2=NN=C(S2)SCC3=CC=C(C=C3)Cl
COC(=O)c1ccc(cc1)NC(=O)CSc1nnc(s1)SCc1ccc(cc1)Cl
InChI=1SC19H16ClN3O3S3c12617(25)134815(9513)2116(24)112819232218(2919)2710122614(20)7312h29H1011H21H3(H2124)
METHYL4((((5((4CHLOROBENZYL)SULFANYL)134THIADIAZOL2YL)SULFANYL)ACETYL)AMINO)BENZOATE
METHYL4((2((5((4CHLOROPHENYL)METHYLSULFANYL)134THIADIAZOL2YL)SULFANYL)ACETYL)AMINO)BENZOATE
METHYL4(2((5(((4CHLOROPHENYL)METHYL)SULFANYL)134THIADIAZOL2YL)SULFANYL)ACETAMIDO)BENZOATE
METHYL4(2((5((4CHLOROBENZYL)THIO)134THIADIAZOL2YL)THIO)ACETAMIDO)BENZOATE
METHYL4(2(5((4CHLOROPHENYL)METHYLTHIO)134THIADIAZOL2YLTHIO)ACETYLAMINO)BENZOATE
MFCD03223329
STK001438
ZINC000001804758
ZINC01804758
ZINC1804758

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Available files

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