Vitas-M small molecule compound
(5E)-3-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)-5-[4-(hexyloxy)-3-methoxybenzylidene]-2-thioxo-1,3-thiazolidin-4-one
Catalog ID
STK815392
SMILES CCCCCCOc1ccc(cc1OC)/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 C28H31N3O4S2 MW 537.70 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H31N3O4S2/c1-5-6-7-11-16-35-22-15-14-20(17-23(22)34-4)18-24-26(32)30(28(36)37-24)25-19(2)29(3)31(27(25)33)21-12-9-8-10-13-21/h8-10,12-15,17-18H,5-7,11,16H2,1-4H3/b24-18+InChIKey
KIFBDTPQHGUVBQ-HKOYGPOVSA-NSynonyms
(5E)3(15dimethyl3oxo2phenyl23dihydro1Hpyrazol4yl)5(4(hexyloxy)3methoxybenzylidene)2thioxo13thiazolidin4one
(5E)3(15DIMETHYL3OXO2PHENYLPYRAZOL4YL)5((4HEXOXY3METHOXYPHENYL)METHYLIDENE)2SULFANYLIDENE13THIAZOLIDIN4ONE
(Z)3(15dimethyl3oxo2phenyl23dihydro1Hpyrazol4yl)5(4(hexyloxy)3methoxybenzylidene)2thioxothiazolidin4one
CCCCCCOC1=C(C=C(C=C1)C=C2C(=O)N(C(=S)S2)C3=C(N(N(C3=O)C4=CC=CC=C4)C)C)OC
CCCCCCOc1ccc(cc1OC)C=C1SC(=S)N(C1=O)c1c(C)n(n(c1=O)c1ccccc1)C
InChI=1SC28H31N3O4S2c156711163522151420(1723(22)344)182426(32)30(28(36)3724)2519(2)29(3)31(27(25)33)211298101321h81012151718H571116H214H3b2418+
MFCD04442648
ZINC000097946514
ZINC97946514
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