Vitas-M small molecule compound
(5Z)-5-{[3-(3,4-dimethoxyphenyl)-1-phenyl-1H-pyrazol-4-yl]methylidene}-3-(2-ethylhexyl)-2-thioxo-1,3-thiazolidin-4-one
Catalog ID
STK815389
SMILES CCCCC(CN1C(=S)S/C(=C\c2cn(nc2c2ccc(c(c2)OC)OC)c2ccccc2)/C1=O)CC
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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/c1-5-7-11-20(6-2)18-31-28(33)26(37-29(31)36)17-22-19-32(23-12-9-8-10-13-23)30-27(22)21-14-15-24(34-3)25(16-21)35-4/h8-10,12-17,19-20H,5-7,11,18H2,1-4H3/b26-17-InChIKey
MVTWBOKPHFGHDU-ONUIUJJFSA-NSynonyms
(5Z)5((3(34dimethoxyphenyl)1phenyl1Hpyrazol4yl)methylidene)3(2ethylhexyl)2thioxo13thiazolidin4one
(5Z)5((3(34dimethoxyphenyl)1phenylpyrazol4yl)methylidene)3(2ethylhexyl)2sulfanylidene13thiazolidin4one
CCCCC(CC)CN1C(=O)C(=CC2=CN(N=C2C3=CC(=C(C=C3)OC)OC)C4=CC=CC=C4)SC1=S
CCCCC(CN1C(=S)SC(=Cc2cn(nc2c2ccc(c(c2)OC)OC)c2ccccc2)C1=O)CC
InChI=1SC29H33N3O3S2c1571120(62)183128(33)26(3729(31)36)17221932(231298101323)3027(22)21141524(343)25(1621)354h81012171920H571118H214H3b2617
MFCD04442645
ZINC000097946511
ZINC000097946512
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