Vitas-M small molecule compound
3-[(5E)-5-(4-methylbenzylidene)-4-oxo-2-thioxo-1,3-thiazolidin-3-yl]-3-phenylpropanoic acid
Catalog ID
STL035152
SMILES OC(=O)CC(N1C(=S)S/C(=C/c2ccc(cc2)C)/C1=O)c1ccccc1
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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 C20H17NO3S2 MW 383.49 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H17NO3S2/c1-13-7-9-14(10-8-13)11-17-19(24)21(20(25)26-17)16(12-18(22)23)15-5-3-2-4-6-15/h2-11,16H,12H2,1H3,(H,22,23)/b17-11+InChIKey
ZUPQHVGHXZCCRM-GZTJUZNOSA-NSynonyms
3((5E)5((4methylphenyl)methylidene)4oxo2sulfanylidene13thiazolidin3yl)3phenylpropanoicacid
3((5E)5(4methylbenzylidene)4oxo2thioxo13thiazolidin3yl)3phenylpropanoicacid
CC1=CC=C(C=C1)C=C2C(=O)N(C(=S)S2)C(CC(=O)O)C3=CC=CC=C3
InChI=1SC20H17NO3S2c1137914(10813)111719(24)21(20(25)2617)16(1218(22)23)155324615h21116H12H21H3(H2223)b1711+
MFCD18191988
OC(=O)CC(N1C(=S)SC(=Cc2ccc(cc2)C)C1=O)c1ccccc1
ZINC000035624304
ZINC000035624306
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