Vitas-M small molecule compound
(5Z)-5-{[3-(4-ethoxy-2-methylphenyl)-1-phenyl-1H-pyrazol-4-yl]methylidene}-3-heptyl-2-thioxo-1,3-thiazolidin-4-one
Catalog ID
STK799192
SMILES CCCCCCCN1C(=S)S/C(=C\c2cn(nc2c2ccc(cc2C)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 C29H33N3O2S2 MW 519.73 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H33N3O2S2/c1-4-6-7-8-12-17-31-28(33)26(36-29(31)35)19-22-20-32(23-13-10-9-11-14-23)30-27(22)25-16-15-24(34-5-2)18-21(25)3/h9-11,13-16,18-20H,4-8,12,17H2,1-3H3/b26-19-InChIKey
YHNSETBOXYLEIR-XHPQRKPJSA-NSynonyms
(5Z)5((3(4ethoxy2methylphenyl)1phenyl1Hpyrazol4yl)methylidene)3heptyl2thioxo13thiazolidin4one
(5Z)5((3(4ethoxy2methylphenyl)1phenylpyrazol4yl)methylidene)3heptyl2sulfanylidene13thiazolidin4one
CCCCCCCN1C(=O)C(=CC2=CN(N=C2C3=C(C=C(C=C3)OCC)C)C4=CC=CC=C4)SC1=S
CCCCCCCN1C(=S)SC(=Cc2cn(nc2c2ccc(cc2C)OCC)c2ccccc2)C1=O
InChI=1SC29H33N3O2S2c1467812173128(33)26(3629(31)35)19222032(2313109111423)3027(22)25161524(3452)1821(25)3h91113161820H481217H213H3b2619
MFCD03418463
ZINC000100839796
ZINC100839796
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