Vitas-M small molecule compound
2-{(5Z)-5-[(2Z)-2-chloro-3-(4-nitrophenyl)prop-2-en-1-ylidene]-4-oxo-2-thioxo-1,3-thiazolidin-3-yl}pentanedioic acid
Catalog ID
STK737698
SMILES OC(=O)CCC(N1C(=S)S/C(=C\C(=C\c2ccc(cc2)[N+](=O)[O-])\Cl)/C1=O)C(=O)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 C17H13ClN2O7S2 MW 456.88 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H13ClN2O7S2/c18-10(7-9-1-3-11(4-2-9)20(26)27)8-13-15(23)19(17(28)29-13)12(16(24)25)5-6-14(21)22/h1-4,7-8,12H,5-6H2,(H,21,22)(H,24,25)/b10-7-,13-8-InChIKey
CSOHAXDLWXFPFP-VQHBBHOASA-NSynonyms
2((5Z)5((2Z)2chloro3(4nitrophenyl)prop2en1ylidene)4oxo2thioxo13thiazolidin3yl)pentanedioicacid
2((5Z)5((Z)2CHLORO3(4NITROPHENYL)PROP2ENYLIDENE)4OXO2SULFANYLIDENE13THIAZOLIDIN3YL)PENTANEDIOICACID
2((Z)5((Z)2chloro3(4nitrophenyl)allylidene)4oxo2thioxothiazolidin3yl)pentanedioicacid
2(5((2Z)2CHLORO3(4NITROPHENYL)PROP2ENYLIDENE)4OXO2THIOXO13THIAZOLIDIN3YL)PENTANEDIOICACID
C1=CC(=CC=C1C=C(C=C2C(=O)N(C(=S)S2)C(CCC(=O)O)C(=O)O)Cl)(N+)(=O)(O)
InChI=1SC17H13ClN2O7S2c1810(791311(429)20(26)27)81315(23)19(17(28)2913)12(16(24)25)5614(21)22h147812H56H2(H2122)(H2425)b107138
MFCD02077644
OC(=O)CCC(N1C(=S)SC(=CC(=Cc2ccc(cc2)(N+)(=O)(O))Cl)C1=O)C(=O)O
ZINC000009434167
ZINC000061899317
Check stock
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