Vitas-M small molecule compound

methyl 4-[(5E)-5-(2-chlorobenzylidene)-4-oxo-2-thioxo-1,3-thiazolidin-3-yl]benzoate

Catalog ID
STK842652
SMILES COC(=O)c1ccc(cc1)N1C(=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 C18H12ClNO3S2 MW 389.88 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H12ClNO3S2/c1-23-17(22)11-6-8-13(9-7-11)20-16(21)15(25-18(20)24)10-12-4-2-3-5-14(12)19/h2-10H,1H3/b15-10+
InChIKey
SWZZRQNGOIZNMQ-XNTDXEJSSA-N
Synonyms
433306-91-3
(E)methyl4(5(2chlorobenzylidene)4oxo2thioxothiazolidin3yl)benzoate
433306913
COC(=O)C1=CC=C(C=C1)N2C(=O)C(=CC3=CC=CC=C3Cl)SC2=S
COC(=O)c1ccc(cc1)N1C(=S)SC(=Cc2ccccc2Cl)C1=O
InChI=1SC18H12ClNO3S2c12317(22)116813(9711)2016(21)15(2518(20)24)1012423514(12)19h210H1H3b1510+
METHYL4((5E)5((2CHLOROPHENYL)METHYLIDENE)4OXO2SULFANYLIDENE13THIAZOLIDIN3YL)BENZOATE
methyl4((5E)5(2chlorobenzylidene)4oxo2thioxo13thiazolidin3yl)benzoate
METHYL4(5((2CHLOROPHENYL)METHYLENE)4OXO2THIOXO13THIAZOLIDIN3YL)BENZOATE
MFCD02960336
ZINC000004482826
ZINC04482826
ZINC4482826

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Available files

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