Vitas-M small molecule compound
di-tert-butyl (6E)-4-hydroxy-4-methyl-6-{2-[(4-methylphenyl)sulfonyl]hydrazinylidene}-2-(3-nitrophenyl)cyclohexane-1,3-dicarboxylate
Catalog ID
STK692341
SMILES Cc1ccc(cc1)S(=O)(=O)N/N=C/1\CC(C)(O)C(C(C1C(=O)OC(C)(C)C)c1cccc(c1)[N+](=O)[O-])C(=O)OC(C)(C)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 C30H39N3O9S MW 617.72 g/mol Purity >90% as per NMR
InChI
InChI=1S/C30H39N3O9S/c1-18-12-14-21(15-13-18)43(39,40)32-31-22-17-30(8,36)25(27(35)42-29(5,6)7)23(24(22)26(34)41-28(2,3)4)19-10-9-11-20(16-19)33(37)38/h9-16,23-25,32,36H,17H2,1-8H3/b31-22+InChIKey
DOXZXPPIXLMYEL-DFKUXCBWSA-NSynonyms
CC1=CC=C(C=C1)S(=O)(=O)NN=C2CC(C(C(C2C(=O)OC(C)(C)C)C3=CC(=CC=C3)(N+)(=O)(O))C(=O)OC(C)(C)C)(C)O
Cc1ccc(cc1)S(=O)(=O)NN=C1CC(C)(O)C(C(C1C(=O)OC(C)(C)C)c1cccc(c1)(N+)(=O)(O))C(=O)OC(C)(C)C
ditertbutyl(6E)4hydroxy4methyl6((4methylphenyl)sulfonylhydrazinylidene)2(3nitrophenyl)cyclohexane13dicarboxylate
ditertbutyl(6E)4hydroxy4methyl6(2((4methylphenyl)sulfonyl)hydrazinylidene)2(3nitrophenyl)cyclohexane13dicarboxylate
InChI=1SC30H39N3O9Sc118121421(151318)43(3940)3231221730(836)25(27(35)4229(56)7)23(24(22)26(34)4128(23)4)191091120(1619)33(37)38h91623253236H17H218H3b3122+
MFCD10038252
ZINC000100236659
ZINC000245255017
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