Vitas-M small molecule compound
(12aS)-6-(2,3-dimethoxyphenyl)-2-(3-hydroxypropyl)-2,3,6,7,12,12a-hexahydropyrazino[1',2':1,6]pyrido[3,4-b]indole-1,4-dione
Catalog ID
STL537269
SMILES OCCCN1CC(=O)N2[C@H](C1=O)Cc1c(C2c2cccc(c2OC)OC)[nH]c2c1cccc2
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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 C25H27N3O5 MW 449.51 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H27N3O5/c1-32-20-10-5-8-16(24(20)33-2)23-22-17(15-7-3-4-9-18(15)26-22)13-19-25(31)27(11-6-12-29)14-21(30)28(19)23/h3-5,7-10,19,23,26,29H,6,11-14H2,1-2H3/t19-,23?/m0/s1InChIKey
NTPDEYXVKIHSHI-HSTJUUNISA-NSynonyms
956944-72-2(12aS)6(23dimethoxyphenyl)2(3hydroxypropyl)231212atetrahydropyrazino(1216)pyrido(34b)indole14(6H7H)dione
(12aS)6(23dimethoxyphenyl)2(3hydroxypropyl)23671212ahexahydropyrazino(1216)pyrido(34b)indole14dione
(8~(S))2(23dimethoxyphenyl)6(3hydroxypropyl)3617triazatetracyclo(8700^(38)0^(1116))heptadeca1(10)111315tetraene47dione
16399580
956944722
InChI=1SC25H27N3O5c13220105816(24(20)332)232217(15734918(15)2622)131925(31)27(1161229)1421(30)28(19)23h3571019232629H61114H212H3t1923?m0s1
MFCD04144474
OCCCN1CC(=O)N2(C@H)(C1=O)Cc1c(C2c2cccc(c2OC)OC)(nH)c2c1cccc2
ZINC000002156867
ZINC000002156868
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