Vitas-M small molecule compound
(12aS)-2-(4-methoxybenzyl)-6-(2-methylphenyl)-2,3,6,7,12,12a-hexahydropyrazino[1',2':1,6]pyrido[3,4-b]indole-1,4-dione
Catalog ID
STL538089
SMILES COc1ccc(cc1)CN1CC(=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 C29H27N3O3 MW 465.55 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H27N3O3/c1-18-7-3-4-8-21(18)28-27-23(22-9-5-6-10-24(22)30-27)15-25-29(34)31(17-26(33)32(25)28)16-19-11-13-20(35-2)14-12-19/h3-14,25,28,30H,15-17H2,1-2H3/t25-,28?/m0/s1InChIKey
YIHWSCHIYXFRMW-ALLRNTDFSA-NSynonyms
956623-39-5(12aS)2(4methoxybenzyl)6(2methylphenyl)23671212ahexahydropyrazino(1216)pyrido(34b)indole14dione
(12aS)2(4methoxybenzyl)6(otolyl)231212atetrahydropyrazino(1216)pyrido(34b)indole14(6H7H)dione
(8~(S))6((4methoxyphenyl)methyl)2(2methylphenyl)3617triazatetracyclo(8700^(38)0^(1116))heptadeca1(10)111315tetraene47dione
16401378
956623395
COc1ccc(cc1)CN1CC(=O)N2(C@H)(C1=O)Cc1c(C2c2ccccc2C)(nH)c2c1cccc2
InChI=1SC29H27N3O3c118734821(18)282723(229561024(22)3027)152529(34)31(1726(33)32(25)28)1619111320(352)141219h314252830H1517H212H3t2528?m0s1
MFCD05674289
ZINC000002118598
ZINC000002118600
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