Vitas-M small molecule compound
(12bS)-2-(5-hydroxypentyl)-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
STL545794
SMILES OCCCCCN1CC(=O)N2[C@@](C1=O)(C)c1[nH]c3c(c1CC2)cc(cc3)OC
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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 C21H27N3O4 MW 385.46 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H27N3O4/c1-21-19-15(16-12-14(28-2)6-7-17(16)22-19)8-10-24(21)18(26)13-23(20(21)27)9-4-3-5-11-25/h6-7,12,22,25H,3-5,8-11,13H2,1-2H3/t21-/m0/s1InChIKey
YIVIOQZSIWGLBD-NRFANRHFSA-NSynonyms
957023-04-0(12bS)2(5hydroxypentyl)9methoxy12bmethyl23671212bhexahydropyrazino(1212)pyrido(34b)indole14dione
(2~(S))4(5hydroxypentyl)13methoxy2methyl4717triazatetracyclo(8700^(27)0^(1116))heptadeca1(10)11(16)1214tetraene36dione
(S)2(5hydroxypentyl)9methoxy12bmethyl2367tetrahydropyrazino(1212)pyrido(34b)indole14(12H12bH)dione
6571047
957023040
InChI=1SC21H27N3O4c1211915(161214(282)6717(16)2219)81024(21)18(26)1323(20(21)27)94351125h67122225H3581113H212H3t21m0s1
MFCD05671682
OCCCCCN1CC(=O)N2(C@@)(C1=O)(C)c1(nH)c3c(c1CC2)cc(cc3)OC
ZINC000004073533
ZINC4073533
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