Vitas-M small molecule compound
(12bS)-2-(5-hydroxypentyl)-7-(2-methoxyphenyl)-12b-methyl-2,3,6,7,12,12b-hexahydropyrazino[1',2':1,2]pyrido[3,4-b]indole-1,4-dione
Catalog ID
STL529359
SMILES OCCCCCN1CC(=O)N2[C@@](C1=O)(C)c1[nH]c3c(c1C(C2)c1ccccc1OC)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 C27H31N3O4 MW 461.56 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H31N3O4/c1-27-25-24(19-11-4-6-12-21(19)28-25)20(18-10-5-7-13-22(18)34-2)16-30(27)23(32)17-29(26(27)33)14-8-3-9-15-31/h4-7,10-13,20,28,31H,3,8-9,14-17H2,1-2H3/t20?,27-/m0/s1InChIKey
RFIBMCBLOSJBRJ-OHMHCFLMSA-NSynonyms
956815-64-8(12bS)2(5hydroxypentyl)7(2methoxyphenyl)12bmethyl23671212bhexahydropyrazino(1212)pyrido(34b)indole14dione
(12bS)2(5hydroxypentyl)7(2methoxyphenyl)12bmethyl2367tetrahydropyrazino(1212)pyrido(34b)indole14(12H12bH)dione
(2~(S))4(5hydroxypentyl)9(2methoxyphenyl)2methyl4717triazatetracyclo(8700^(27)0^(1116))heptadeca1(10)111315tetraene36dione
16402357
956815648
InChI=1SC27H31N3O4c1272524(1911461221(19)2825)20(1810571322(18)342)1630(27)23(32)1729(26(27)33)148391531h471013202831H3891417H212H3t20?27m0s1
MFCD06493485
OCCCCCN1CC(=O)N2(C@@)(C1=O)(C)c1(nH)c3c(c1C(C2)c1ccccc1OC)cccc3
ZINC000012876417
ZINC000012876423
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