Vitas-M small molecule compound
(5Z)-5-(4-butoxy-3-ethoxybenzylidene)-3-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)-2-thioxo-1,3-thiazolidin-4-one
Catalog ID
STK815637
SMILES CCCCOc1ccc(cc1OCC)/C=C/1\SC(=S)N(C1=O)c1c(C)n(n(c1=O)c1ccccc1)C
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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 C27H29N3O4S2 MW 523.68 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H29N3O4S2/c1-5-7-15-34-21-14-13-19(16-22(21)33-6-2)17-23-25(31)29(27(35)36-23)24-18(3)28(4)30(26(24)32)20-11-9-8-10-12-20/h8-14,16-17H,5-7,15H2,1-4H3/b23-17-InChIKey
RRKFOLYBTZATJF-QJOMJCCJSA-NSynonyms
797016-53-6(5Z)5((4BUTOXY3ETHOXYPHENYL)METHYLIDENE)3(15DIMETHYL3OXO2PHENYLPYRAZOL4YL)2SULFANYLIDENE13THIAZOLIDIN4ONE
(5Z)5(4butoxy3ethoxybenzylidene)3(15dimethyl3oxo2phenyl23dihydro1Hpyrazol4yl)2thioxo13thiazolidin4one
(Z)5(4butoxy3ethoxybenzylidene)3(15dimethyl3oxo2phenyl23dihydro1Hpyrazol4yl)2thioxothiazolidin4one
797016536
CCCCOC1=C(C=C(C=C1)C=C2C(=O)N(C(=S)S2)C3=C(N(N(C3=O)C4=CC=CC=C4)C)C)OCC
CCCCOc1ccc(cc1OCC)C=C1SC(=S)N(C1=O)c1c(C)n(n(c1=O)c1ccccc1)C
InChI=1SC27H29N3O4S2c157153421141319(1622(21)3362)172325(31)29(27(35)3623)2418(3)28(4)30(26(24)32)201198101220h8141617H5715H214H3b2317
MFCD03662987
ZINC000013618538
ZINC13618538
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