Vitas-M small molecule compound
di-tert-butyl (6E)-4-hydroxy-2-(4-methoxyphenyl)-4-methyl-6-{2-[(4-methylphenyl)sulfonyl]hydrazinylidene}cyclohexane-1,3-dicarboxylate
Catalog ID
STK694173
SMILES COc1ccc(cc1)C1C(C(=O)OC(C)(C)C)/C(=N/NS(=O)(=O)c2ccc(cc2)C)/CC(C1C(=O)OC(C)(C)C)(C)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 C31H42N2O8S MW 602.75 g/mol Purity >90% as per NMR
InChI
InChI=1S/C31H42N2O8S/c1-19-10-16-22(17-11-19)42(37,38)33-32-23-18-31(8,36)26(28(35)41-30(5,6)7)24(20-12-14-21(39-9)15-13-20)25(23)27(34)40-29(2,3)4/h10-17,24-26,33,36H,18H2,1-9H3/b32-23+InChIKey
UGFTYSJCHIAVBK-AWSUPERCSA-NSynonyms
CC1=CC=C(C=C1)S(=O)(=O)NN=C2CC(C(C(C2C(=O)OC(C)(C)C)C3=CC=C(C=C3)OC)C(=O)OC(C)(C)C)(C)O
COc1ccc(cc1)C1C(C(=O)OC(C)(C)C)C(=NNS(=O)(=O)c2ccc(cc2)C)CC(C1C(=O)OC(C)(C)C)(C)O
ditertbutyl(6E)4hydroxy2(4methoxyphenyl)4methyl6((4methylphenyl)sulfonylhydrazinylidene)cyclohexane13dicarboxylate
ditertbutyl(6E)4hydroxy2(4methoxyphenyl)4methyl6(2((4methylphenyl)sulfonyl)hydrazinylidene)cyclohexane13dicarboxylate
InChI=1SC31H42N2O8Sc119101622(171119)42(3738)3332231831(836)26(28(35)4130(56)7)24(20121421(399)151320)25(23)27(34)4029(23)4h101724263336H18H219H3b3223+
MFCD12034406
ZINC000100242251
ZINC000100242258
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