Vitas-M small molecule compound
(12bS)-7-(3-ethoxy-4-propoxyphenyl)-2-(5-hydroxypentyl)-12b-methyl-2,3,6,7,12,12b-hexahydropyrazino[1',2':1,2]pyrido[3,4-b]indole-1,4-dione
Catalog ID
STL533404
SMILES OCCCCCN1CC(=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 C31H39N3O5 MW 533.67 g/mol Purity >90% as per NMR
InChI
InChI=1S/C31H39N3O5/c1-4-17-39-25-14-13-21(18-26(25)38-5-2)23-19-34-27(36)20-33(15-9-6-10-16-35)30(37)31(34,3)29-28(23)22-11-7-8-12-24(22)32-29/h7-8,11-14,18,23,32,35H,4-6,9-10,15-17,19-20H2,1-3H3/t23?,31-/m0/s1InChIKey
ZYTAFYHXSXQSEN-HPTWYVLESA-NSynonyms
956917-92-3(12bS)7(3ethoxy4propoxyphenyl)2(5hydroxypentyl)12bmethyl23671212bhexahydropyrazino(1212)pyrido(34b)indole14dione
(12bS)7(3ethoxy4propoxyphenyl)2(5hydroxypentyl)12bmethyl2367tetrahydropyrazino(1212)pyrido(34b)indole14(12H12bH)dione
(2~(S))9(3ethoxy4propoxyphenyl)4(5hydroxypentyl)2methyl4717triazatetracyclo(8700^(27)0^(1116))heptadeca1(10)111315tetraene36dione
16403348
956917923
InChI=1SC31H39N3O5c14173925141321(1826(25)3852)23193427(36)2033(1596101635)30(37)31(343)2928(23)2211781224(22)3229h78111418233235H4691015171920H213H3t23?31m0s1
MFCD06495631
OCCCCCN1CC(=O)N2(C@@)(C1=O)(C)c1(nH)c3c(c1C(C2)c1ccc(c(c1)OCC)OCCC)cccc3
ZINC000008789678
ZINC000008789680
Check stock
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Check stock on Vitas-MAvailable files
Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.