Vitas-M small molecule compound
(12bS)-7-(2-ethoxy-3-methoxyphenyl)-12b-methyl-2-pentyl-2,3,6,7,12,12b-hexahydropyrazino[1',2':1,2]pyrido[3,4-b]indole-1,4-dione
Catalog ID
STL528702
SMILES CCCCCN1CC(=O)N2[C@@](C1=O)(C)c1[nH]c3c(c1C(C2)c1cccc(c1OCC)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 C29H35N3O4 MW 489.61 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H35N3O4/c1-5-7-10-16-31-18-24(33)32-17-21(19-13-11-15-23(35-4)26(19)36-6-2)25-20-12-8-9-14-22(20)30-27(25)29(32,3)28(31)34/h8-9,11-15,21,30H,5-7,10,16-18H2,1-4H3/t21?,29-/m0/s1InChIKey
GRCYRCSURMEMJU-TXMUIZFDSA-NSynonyms
956992-39-5(12bS)7(2ethoxy3methoxyphenyl)12bmethyl2pentyl23671212bhexahydropyrazino(1212)pyrido(34b)indole14dione
(12bS)7(2ethoxy3methoxyphenyl)12bmethyl2pentyl2367tetrahydropyrazino(1212)pyrido(34b)indole14(12H12bH)dione
(2~(S))9(2ethoxy3methoxyphenyl)2methyl4pentyl4717triazatetracyclo(8700^(27)0^(1116))heptadeca1(10)111315tetraene36dione
16402534
956992395
CCCCCN1CC(=O)N2(C@@)(C1=O)(C)c1(nH)c3c(c1C(C2)c1cccc(c1OCC)OC)cccc3
InChI=1SC29H35N3O4c1571016311824(33)321721(1913111523(354)26(19)3662)252012891422(20)3027(25)29(323)28(31)34h8911152130H57101618H214H3t21?29m0s1
MFCD06493873
ZINC000008788827
ZINC000008788829
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