Vitas-M small molecule compound

methyl 3-[(5Z)-5-(4-methylbenzylidene)-4-oxo-2-thioxo-1,3-thiazolidin-3-yl]propanoate

Catalog ID
STK837262
SMILES COC(=O)CCN1C(=S)S/C(=C\c2ccc(cc2)C)/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 C15H15NO3S2 MW 321.42 g/mol Purity >90% as per NMR
InChI
InChI=1S/C15H15NO3S2/c1-10-3-5-11(6-4-10)9-12-14(18)16(15(20)21-12)8-7-13(17)19-2/h3-6,9H,7-8H2,1-2H3/b12-9-
InChIKey
VBSJYZQGVCJBRL-XFXZXTDPSA-N
Synonyms

(Z)methyl3(5(4methylbenzylidene)4oxo2thioxothiazolidin3yl)propanoate
CC1=CC=C(C=C1)C=C2C(=O)N(C(=S)S2)CCC(=O)OC
COC(=O)CCN1C(=S)SC(=Cc2ccc(cc2)C)C1=O
InChI=1SC15H15NO3S2c1103511(6410)91214(18)16(15(20)2112)8713(17)192h369H78H212H3b129
METHYL3((5Z)5((4METHYLPHENYL)METHYLIDENE)4OXO2SULFANYLIDENE13THIAZOLIDIN3YL)PROPANOATE
methyl3((5Z)5(4methylbenzylidene)4oxo2thioxo13thiazolidin3yl)propanoate
MFCD02992856
ZINC000001297748
ZINC01297748
ZINC1297748

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Available files

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