Vitas-M small molecule compound
(12bS)-2-(butan-2-yl)-7-[3-methoxy-4-(propan-2-yloxy)phenyl]-12b-methyl-2,3,6,7,12,12b-hexahydropyrazino[1',2':1,2]pyrido[3,4-b]indole-1,4-dione
Catalog ID
STL529047
SMILES CCC(N1CC(=O)N2[C@@](C1=O)(C)c1[nH]c3c(c1C(C2)c1ccc(c(c1)OC)OC(C)C)cccc3)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 C29H35N3O4 MW 489.61 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H35N3O4/c1-7-18(4)31-16-25(33)32-15-21(19-12-13-23(36-17(2)3)24(14-19)35-6)26-20-10-8-9-11-22(20)30-27(26)29(32,5)28(31)34/h8-14,17-18,21,30H,7,15-16H2,1-6H3/t18?,21?,29-/m0/s1InChIKey
IMEHFTTZTMJBMI-KGTPQATISA-NSynonyms
956953-71-2(12bS)2(butan2yl)7(3methoxy4(propan2yloxy)phenyl)12bmethyl23671212bhexahydropyrazino(1212)pyrido(34b)indole14dione
(12bS)2(secbutyl)7(4isopropoxy3methoxyphenyl)12bmethyl2367tetrahydropyrazino(1212)pyrido(34b)indole14(12H12bH)dione
(2~(S))4butan2yl9(3methoxy4propan2yloxyphenyl)2methyl4717triazatetracyclo(8700^(27)0^(1116))heptadeca1(10)111315tetraene36dione
16402321
956953712
CCC(N1CC(=O)N2(C@@)(C1=O)(C)c1(nH)c3c(c1C(C2)c1ccc(c(c1)OC)OC(C)C)cccc3)C
InChI=1SC29H35N3O4c1718(4)311625(33)321521(19121323(3617(2)3)24(1419)356)262010891122(20)3027(26)29(325)28(31)34h81417182130H71516H216H3t18?21?29m0s1
MFCD06493385
ZINC000012876148
ZINC000012876164
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