Vitas-M small molecule compound
(12bS)-7-(2,3-dimethoxyphenyl)-2-(4-methoxybenzyl)-12b-methyl-2,3,6,7,12,12b-hexahydropyrazino[1',2':1,2]pyrido[3,4-b]indole-1,4-dione
Catalog ID
STL548469
SMILES COc1ccc(cc1)CN1CC(=O)N2[C@@](C1=O)(C)c1[nH]c3c(c1C(C2)c1cccc(c1OC)OC)cccc3
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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 C31H31N3O5 MW 525.60 g/mol Purity >90% as per NMR
InChI
InChI=1S/C31H31N3O5/c1-31-29-27(22-8-5-6-10-24(22)32-29)23(21-9-7-11-25(38-3)28(21)39-4)17-34(31)26(35)18-33(30(31)36)16-19-12-14-20(37-2)15-13-19/h5-15,23,32H,16-18H2,1-4H3/t23?,31-/m0/s1InChIKey
TVLINGGFZIECFE-HPTWYVLESA-NSynonyms
956942-01-1(12bS)7(23dimethoxyphenyl)2(4methoxybenzyl)12bmethyl23671212bhexahydropyrazino(1212)pyrido(34b)indole14dione
(12bS)7(23dimethoxyphenyl)2(4methoxybenzyl)12bmethyl2367tetrahydropyrazino(1212)pyrido(34b)indole14(12H12bH)dione
(2~(S))9(23dimethoxyphenyl)4((4methoxyphenyl)methyl)2methyl4717triazatetracyclo(8700^(27)0^(1116))heptadeca1(10)111315tetraene36dione
16400743
956942011
COc1ccc(cc1)CN1CC(=O)N2(C@@)(C1=O)(C)c1(nH)c3c(c1C(C2)c1cccc(c1OC)OC)cccc3
InChI=1SC31H31N3O5c1312927(228561024(22)3229)23(21971125(383)28(21)394)1734(31)26(35)1833(30(31)36)1619121420(372)151319h5152332H1618H214H3t23?31m0s1
MFCD05671921
ZINC000008918363
ZINC000008918364
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