Vitas-M small molecule compound
(12bS)-2-[2-(3,4-dimethoxyphenyl)ethyl]-12b-methyl-7-(4-methylphenyl)-2,3,6,7,12,12b-hexahydropyrazino[1',2':1,2]pyrido[3,4-b]indole-1,4-dione
Catalog ID
STL529116
SMILES COc1cc(CCN2CC(=O)N3[C@@](C2=O)(C)c2[nH]c4c(c2C(C3)c2ccc(cc2)C)cccc4)ccc1OC
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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 C32H33N3O4 MW 523.63 g/mol Purity >90% as per NMR
InChI
InChI=1S/C32H33N3O4/c1-20-9-12-22(13-10-20)24-18-35-28(36)19-34(16-15-21-11-14-26(38-3)27(17-21)39-4)31(37)32(35,2)30-29(24)23-7-5-6-8-25(23)33-30/h5-14,17,24,33H,15-16,18-19H2,1-4H3/t24?,32-/m0/s1InChIKey
XVQXACCXMAPYPE-TWAVRPEISA-NSynonyms
956951-67-0(12bS)2(2(34dimethoxyphenyl)ethyl)12bmethyl7(4methylphenyl)23671212bhexahydropyrazino(1212)pyrido(34b)indole14dione
(12bS)2(34dimethoxyphenethyl)12bmethyl7(ptolyl)2367tetrahydropyrazino(1212)pyrido(34b)indole14(12H12bH)dione
(2~(S))4(2(34dimethoxyphenyl)ethyl)2methyl9(4methylphenyl)4717triazatetracyclo(8700^(27)0^(1116))heptadeca1(10)111315tetraene36dione
16401958
956951670
COc1cc(CCN2CC(=O)N3(C@@)(C2=O)(C)c2(nH)c4c(c2C(C3)c2ccc(cc2)C)cccc4)ccc1OC
InChI=1SC32H33N3O4c12091222(131020)24183528(36)1934(161521111426(383)27(1721)394)31(37)32(352)3029(24)23756825(23)3330h514172433H15161819H214H3t24?32m0s1
MFCD06492587
ZINC000012872659
ZINC000012872669
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