Vitas-M small molecule compound
(5Z)-5-[(3-{4-[(4-fluorobenzyl)oxy]phenyl}-1-phenyl-1H-pyrazol-4-yl)methylidene]-3-[2-(4-methoxyphenyl)ethyl]-2-thioxo-1,3-thiazolidin-4-one
Catalog ID
STK810591
SMILES COc1ccc(cc1)CCN1C(=S)S/C(=C\c2cn(nc2c2ccc(cc2)OCc2ccc(cc2)F)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 C35H28FN3O3S2 MW 621.76 g/mol Purity >90% as per NMR
InChI
InChI=1S/C35H28FN3O3S2/c1-41-30-15-9-24(10-16-30)19-20-38-34(40)32(44-35(38)43)21-27-22-39(29-5-3-2-4-6-29)37-33(27)26-11-17-31(18-12-26)42-23-25-7-13-28(36)14-8-25/h2-18,21-22H,19-20,23H2,1H3/b32-21-InChIKey
BZCYTRNMAXGCFW-QXPFVDMISA-NSynonyms
(5Z)5((3(4((4fluorobenzyl)oxy)phenyl)1phenyl1Hpyrazol4yl)methylidene)3(2(4methoxyphenyl)ethyl)2thioxo13thiazolidin4one
(5Z)5((3(4((4fluorophenyl)methoxy)phenyl)1phenylpyrazol4yl)methylidene)3(2(4methoxyphenyl)ethyl)2sulfanylidene13thiazolidin4one
COC1=CC=C(C=C1)CCN2C(=O)C(=CC3=CN(N=C3C4=CC=C(C=C4)OCC5=CC=C(C=C5)F)C6=CC=CC=C6)SC2=S
COc1ccc(cc1)CCN1C(=S)SC(=Cc2cn(nc2c2ccc(cc2)OCc2ccc(cc2)F)c2ccccc2)C1=O
InChI=1SC35H28FN3O3S2c1413015924(101630)19203834(40)32(4435(38)43)21272239(295324629)3733(27)26111731(181226)42232571328(36)14825h2182122H192023H21H3b3221
MFCD04572442
ZINC000097946324
ZINC97946324
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