Vitas-M small molecule compound

(12bS)-2-(butan-2-yl)-9-methoxy-12b-methyl-2,3,6,7,12,12b-hexahydropyrazino[1',2':1,2]pyrido[3,4-b]indole-1,4-dione

Catalog ID
STL549082
SMILES CCC(N1CC(=O)N2[C@@](C1=O)(C)c1[nH]c3c(c1CC2)cc(cc3)OC)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 C20H25N3O3 MW 355.44 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H25N3O3/c1-5-12(2)22-11-17(24)23-9-8-14-15-10-13(26-4)6-7-16(15)21-18(14)20(23,3)19(22)25/h6-7,10,12,21H,5,8-9,11H2,1-4H3/t12?,20-/m0/s1
InChIKey
HGBSRNPBYMTEGJ-UDRWWJRQSA-N
Synonyms
957046-33-2
(12bS)2(butan2yl)9methoxy12bmethyl23671212bhexahydropyrazino(1212)pyrido(34b)indole14dione
(12bS)2(secbutyl)9methoxy12bmethyl2367tetrahydropyrazino(1212)pyrido(34b)indole14(12H12bH)dione
(2~(S))4butan2yl13methoxy2methyl4717triazatetracyclo(8700^(27)0^(1116))heptadeca1(10)11(16)1214tetraene36dione
16400814
957046332
CCC(N1CC(=O)N2(C@@)(C1=O)(C)c1(nH)c3c(c1CC2)cc(cc3)OC)C
InChI=1SC20H25N3O3c1512(2)221117(24)239814151013(264)6716(15)2118(14)20(233)19(22)25h67101221H58911H214H3t12?20m0s1
MFCD05672069
ZINC000004073708
ZINC000004073710

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Available files

Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.