Vitas-M small molecule compound
(12bS)-2-butyl-7-(3-methoxy-4-propoxyphenyl)-12b-methyl-2,3,6,7,12,12b-hexahydropyrazino[1',2':1,2]pyrido[3,4-b]indole-1,4-dione
Catalog ID
STL529062
SMILES CCCCN1CC(=O)N2[C@@](C1=O)(C)c1[nH]c3c(c1C(C2)c1ccc(c(c1)OC)OCCC)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 C29H35N3O4 MW 489.61 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H35N3O4/c1-5-7-14-31-18-25(33)32-17-21(19-12-13-23(36-15-6-2)24(16-19)35-4)26-20-10-8-9-11-22(20)30-27(26)29(32,3)28(31)34/h8-13,16,21,30H,5-7,14-15,17-18H2,1-4H3/t21?,29-/m0/s1InChIKey
HUGIYANJCZRYIW-TXMUIZFDSA-NSynonyms
956936-32-6(12bS)2butyl7(3methoxy4propoxyphenyl)12bmethyl23671212bhexahydropyrazino(1212)pyrido(34b)indole14dione
(12bS)2butyl7(3methoxy4propoxyphenyl)12bmethyl2367tetrahydropyrazino(1212)pyrido(34b)indole14(12H12bH)dione
(2~(S))4butyl9(3methoxy4propoxyphenyl)2methyl4717triazatetracyclo(8700^(27)0^(1116))heptadeca1(10)111315tetraene36dione
16402895
956936326
CCCCN1CC(=O)N2(C@@)(C1=O)(C)c1(nH)c3c(c1C(C2)c1ccc(c(c1)OC)OCCC)cccc3
InChI=1SC29H35N3O4c15714311825(33)321721(19121323(361562)24(1619)354)262010891122(20)3027(26)29(323)28(31)34h813162130H5714151718H214H3t21?29m0s1
MFCD06494645
ZINC000008789192
ZINC000008789193
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