Vitas-M small molecule compound
(12aS)-2-(3-hydroxypropyl)-6-(2-methylphenyl)-2,3,6,7,12,12a-hexahydropyrazino[1',2':1,6]pyrido[3,4-b]indole-1,4-dione
Catalog ID
STL541459
SMILES OCCCN1CC(=O)N2[C@H](C1=O)Cc1c(C2c2ccccc2C)[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 C24H25N3O3 MW 403.48 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H25N3O3/c1-15-7-2-3-8-16(15)23-22-18(17-9-4-5-10-19(17)25-22)13-20-24(30)26(11-6-12-28)14-21(29)27(20)23/h2-5,7-10,20,23,25,28H,6,11-14H2,1H3/t20-,23?/m0/s1InChIKey
KLEGKGSMCSSIAI-AJZOCDQUSA-NSynonyms
957032-45-0(12aS)2(3hydroxypropyl)6(2methylphenyl)23671212ahexahydropyrazino(1216)pyrido(34b)indole14dione
(12aS)2(3hydroxypropyl)6(otolyl)231212atetrahydropyrazino(1216)pyrido(34b)indole14(6H7H)dione
(8~(S))6(3hydroxypropyl)2(2methylphenyl)3617triazatetracyclo(8700^(38)0^(1116))heptadeca1(10)111315tetraene47dione
16400106
957032450
InChI=1SC24H25N3O3c115723816(15)232218(179451019(17)2522)132024(30)26(1161228)1421(29)27(20)23h2571020232528H61114H21H3t2023?m0s1
MFCD05670858
OCCCN1CC(=O)N2(C@H)(C1=O)Cc1c(C2c2ccccc2C)(nH)c2c1cccc2
ZINC000002108623
ZINC000002108625
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