Vitas-M small molecule compound

3-[(5Z)-5-(2-chlorobenzylidene)-4-oxo-2-thioxo-1,3-thiazolidin-3-yl]-N-(3-methoxyphenyl)propanamide

Catalog ID
STK836906
SMILES COc1cccc(c1)NC(=O)CCN1C(=S)S/C(=C\c2ccccc2Cl)/C1=O

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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 C20H17ClN2O3S2 MW 432.95 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H17ClN2O3S2/c1-26-15-7-4-6-14(12-15)22-18(24)9-10-23-19(25)17(28-20(23)27)11-13-5-2-3-8-16(13)21/h2-8,11-12H,9-10H2,1H3,(H,22,24)/b17-11-
InChIKey
ZYCAXVWIQZVWLS-BOPFTXTBSA-N
Synonyms

(Z)3(5(2chlorobenzylidene)4oxo2thioxothiazolidin3yl)N(3methoxyphenyl)propanamide
3((5Z)5((2CHLOROPHENYL)METHYLIDENE)4OXO2SULFANYLIDENE13THIAZOLIDIN3YL)N(3METHOXYPHENYL)PROPANAMIDE
3((5Z)5(2chlorobenzylidene)4oxo2thioxo13thiazolidin3yl)N(3methoxyphenyl)propanamide
COC1=CC=CC(=C1)NC(=O)CCN2C(=O)C(=CC3=CC=CC=C3Cl)SC2=S
COc1cccc(c1)NC(=O)CCN1C(=S)SC(=Cc2ccccc2Cl)C1=O
InChI=1SC20H17ClN2O3S2c1261574614(1215)2218(24)9102319(25)17(2820(23)27)1113523816(13)21h281112H910H21H3(H2224)b1711
MFCD02369592
ZINC000001182550
ZINC01182550
ZINC1182550

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Available files

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