Vitas-M small molecule compound
6-{(5Z)-5-[(3-{4-[(4-chlorobenzyl)oxy]phenyl}-1-phenyl-1H-pyrazol-4-yl)methylidene]-4-oxo-2-thioxo-1,3-thiazolidin-3-yl}hexanoic acid
Catalog ID
STK798762
SMILES OC(=O)CCCCCN1C(=S)S/C(=C\c2cn(nc2c2ccc(cc2)OCc2ccc(cc2)Cl)c2ccccc2)/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 C32H28ClN3O4S2 MW 618.18 g/mol Purity >90% as per NMR
InChI
InChI=1S/C32H28ClN3O4S2/c33-25-14-10-22(11-15-25)21-40-27-16-12-23(13-17-27)30-24(20-36(34-30)26-7-3-1-4-8-26)19-28-31(39)35(32(41)42-28)18-6-2-5-9-29(37)38/h1,3-4,7-8,10-17,19-20H,2,5-6,9,18,21H2,(H,37,38)/b28-19-InChIKey
GTQVUMZRSMCYQF-USHMODERSA-NSynonyms
6((5Z)5((3(4((4chlorobenzyl)oxy)phenyl)1phenyl1Hpyrazol4yl)methylidene)4oxo2thioxo13thiazolidin3yl)hexanoicacid
6((5Z)5((3(4((4CHLOROPHENYL)METHOXY)PHENYL)1PHENYLPYRAZOL4YL)METHYLIDENE)4OXO2SULFANYLIDENE13THIAZOLIDIN3YL)HEXANOICACID
C1=CC=C(C=C1)N2C=C(C(=N2)C3=CC=C(C=C3)OCC4=CC=C(C=C4)Cl)C=C5C(=O)N(C(=S)S5)CCCCCC(=O)O
InChI=1SC32H28ClN3O4S2c3325141022(111525)214027161223(131727)3024(2036(3430)267314826)192831(39)35(32(41)4228)18625929(37)38h1347810171920H25691821H2(H3738)b2819
MFCD03416860
OC(=O)CCCCCN1C(=S)SC(=Cc2cn(nc2c2ccc(cc2)OCc2ccc(cc2)Cl)c2ccccc2)C1=O
ZINC000100839362
ZINC100839362
Check stock
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