Vitas-M small molecule compound
(5Z)-5-{[3-(4-ethoxy-3-fluorophenyl)-1-phenyl-1H-pyrazol-4-yl]methylidene}-3-heptyl-2-thioxo-1,3-thiazolidin-4-one
Catalog ID
STK812807
SMILES CCCCCCCN1C(=S)S/C(=C\c2cn(nc2c2ccc(c(c2)F)OCC)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 C28H30FN3O2S2 MW 523.70 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H30FN3O2S2/c1-3-5-6-7-11-16-31-27(33)25(36-28(31)35)18-21-19-32(22-12-9-8-10-13-22)30-26(21)20-14-15-24(34-4-2)23(29)17-20/h8-10,12-15,17-19H,3-7,11,16H2,1-2H3/b25-18-InChIKey
KERFGXUCDLWORM-BWAHOGKJSA-NSynonyms
(5Z)5((3(4ethoxy3fluorophenyl)1phenyl1Hpyrazol4yl)methylidene)3heptyl2thioxo13thiazolidin4one
(5Z)5((3(4ethoxy3fluorophenyl)1phenylpyrazol4yl)methylidene)3heptyl2sulfanylidene13thiazolidin4one
CCCCCCCN1C(=O)C(=CC2=CN(N=C2C3=CC(=C(C=C3)OCC)F)C4=CC=CC=C4)SC1=S
CCCCCCCN1C(=S)SC(=Cc2cn(nc2c2ccc(c(c2)F)OCC)c2ccccc2)C1=O
InChI=1SC28H30FN3O2S2c1356711163127(33)25(3628(31)35)18211932(221298101322)3026(21)20141524(3442)23(29)1720h81012151719H371116H212H3b2518
MFCD03506756
ZINC000097946633
ZINC97946633
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