Vitas-M small molecule compound
(5Z)-5-{[3-(3,4-dimethoxyphenyl)-1-phenyl-1H-pyrazol-4-yl]methylidene}-3-octyl-2-thioxo-1,3-thiazolidin-4-one
Catalog ID
STK880722
SMILES CCCCCCCCN1C(=S)S/C(=C\c2cn(nc2c2ccc(c(c2)OC)OC)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 C29H33N3O3S2 MW 535.73 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H33N3O3S2/c1-4-5-6-7-8-12-17-31-28(33)26(37-29(31)36)19-22-20-32(23-13-10-9-11-14-23)30-27(22)21-15-16-24(34-2)25(18-21)35-3/h9-11,13-16,18-20H,4-8,12,17H2,1-3H3/b26-19-InChIKey
MMBXNTCQCWNKHX-XHPQRKPJSA-NSynonyms
(5Z)5((3(34dimethoxyphenyl)1phenyl1Hpyrazol4yl)methylidene)3octyl2thioxo13thiazolidin4one
(5Z)5((3(34dimethoxyphenyl)1phenylpyrazol4yl)methylidene)3octyl2sulfanylidene13thiazolidin4one
5((3(34DIMETHOXYPHENYL)1PHENYL1HPYRAZOL4YL)METHYLENE)3OCTYL2THIOXOTHIAZOLIDIN4ONE
CCCCCCCCN1C(=O)C(=CC2=CN(N=C2C3=CC(=C(C=C3)OC)OC)C4=CC=CC=C4)SC1=S
CCCCCCCCN1C(=S)SC(=Cc2cn(nc2c2ccc(c(c2)OC)OC)c2ccccc2)C1=O
InChI=1SC29H33N3O3S2c14567812173128(33)26(3729(31)36)19222032(2313109111423)3027(22)21151624(342)25(1821)353h91113161820H481217H213H3b2619
MFCD04441316
ZINC000100871001
ZINC100871001
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