Vitas-M small molecule compound

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

Catalog ID
STK837511
SMILES CCOc1ccc(cc1)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 C21H19ClN2O3S2 MW 446.98 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H19ClN2O3S2/c1-2-27-16-9-7-15(8-10-16)23-19(25)11-12-24-20(26)18(29-21(24)28)13-14-5-3-4-6-17(14)22/h3-10,13H,2,11-12H2,1H3,(H,23,25)/b18-13-
InChIKey
YOOBPKFXALNYDH-AQTBWJFISA-N
Synonyms

(Z)3(5(2chlorobenzylidene)4oxo2thioxothiazolidin3yl)N(4ethoxyphenyl)propanamide
3((5Z)5((2CHLOROPHENYL)METHYLIDENE)4OXO2SULFANYLIDENE13THIAZOLIDIN3YL)N(4ETHOXYPHENYL)PROPANAMIDE
3((5Z)5(2chlorobenzylidene)4oxo2thioxo13thiazolidin3yl)N(4ethoxyphenyl)propanamide
CCOC1=CC=C(C=C1)NC(=O)CCN2C(=O)C(=CC3=CC=CC=C3Cl)SC2=S
CCOc1ccc(cc1)NC(=O)CCN1C(=S)SC(=Cc2ccccc2Cl)C1=O
InChI=1SC21H19ClN2O3S2c1227169715(81016)2319(25)11122420(26)18(2921(24)28)1314534617(14)22h31013H21112H21H3(H2325)b1813
MFCD02369594
ZINC000008713999
ZINC08713999
ZINC8713999

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Available files

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