Vitas-M small molecule compound
4-{(5Z)-5-[(3-{4-[(4-chlorobenzyl)oxy]phenyl}-1-phenyl-1H-pyrazol-4-yl)methylidene]-4-oxo-2-thioxo-1,3-thiazolidin-3-yl}butanoic acid
Catalog ID
STK810444
SMILES OC(=O)CCCN1C(=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 C30H24ClN3O4S2 MW 590.12 g/mol Purity >90% as per NMR
InChI
InChI=1S/C30H24ClN3O4S2/c31-23-12-8-20(9-13-23)19-38-25-14-10-21(11-15-25)28-22(18-34(32-28)24-5-2-1-3-6-24)17-26-29(37)33(30(39)40-26)16-4-7-27(35)36/h1-3,5-6,8-15,17-18H,4,7,16,19H2,(H,35,36)/b26-17-InChIKey
AXVGSPAACZBGMO-ONUIUJJFSA-NSynonyms
4((5Z)5((3(4((4chlorobenzyl)oxy)phenyl)1phenyl1Hpyrazol4yl)methylidene)4oxo2thioxo13thiazolidin3yl)butanoicacid
4((5Z)5((3(4((4CHLOROPHENYL)METHOXY)PHENYL)1PHENYLPYRAZOL4YL)METHYLIDENE)4OXO2SULFANYLIDENE13THIAZOLIDIN3YL)BUTANOICACID
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)CCCC(=O)O
InChI=1SC30H24ClN3O4S2c312312820(91323)193825141021(111525)2822(1834(3228)245213624)172629(37)33(30(39)4026)164727(35)36h13568151718H471619H2(H3536)b2617
MFCD03932955
OC(=O)CCCN1C(=S)SC(=Cc2cn(nc2c2ccc(cc2)OCc2ccc(cc2)Cl)c2ccccc2)C1=O
ZINC000100840338
ZINC100840338
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