Vitas-M small molecule compound
(12bS)-7-(3-ethoxy-4-propoxyphenyl)-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
STL530478
SMILES CCCCCN1CC(=O)N2[C@@](C1=O)(C)c1[nH]c3c(c1C(C2)c1ccc(c(c1)OCC)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 C31H39N3O4 MW 517.67 g/mol Purity >90% as per NMR
InChI
InChI=1S/C31H39N3O4/c1-5-8-11-16-33-20-27(35)34-19-23(21-14-15-25(38-17-6-2)26(18-21)37-7-3)28-22-12-9-10-13-24(22)32-29(28)31(34,4)30(33)36/h9-10,12-15,18,23,32H,5-8,11,16-17,19-20H2,1-4H3/t23?,31-/m0/s1InChIKey
GUDXHHRTVWBUGV-HPTWYVLESA-NSynonyms
956823-11-3(12bS)7(3ethoxy4propoxyphenyl)12bmethyl2pentyl23671212bhexahydropyrazino(1212)pyrido(34b)indole14dione
(12bS)7(3ethoxy4propoxyphenyl)12bmethyl2pentyl2367tetrahydropyrazino(1212)pyrido(34b)indole14(12H12bH)dione
(2~(S))9(3ethoxy4propoxyphenyl)2methyl4pentyl4717triazatetracyclo(8700^(27)0^(1116))heptadeca1(10)111315tetraene36dione
16403084
956823113
CCCCCN1CC(=O)N2(C@@)(C1=O)(C)c1(nH)c3c(c1C(C2)c1ccc(c(c1)OCC)OCCC)cccc3
InChI=1SC31H39N3O4c1581116332027(35)341923(21141525(381762)26(1821)3773)2822129101324(22)3229(28)31(344)30(33)36h9101215182332H581116171920H214H3t23?31m0s1
MFCD06495065
ZINC000008789380
ZINC000008789381
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