Vitas-M small molecule compound
(12aS)-2-cyclopentyl-6-(2-methylphenyl)-2,3,6,7,12,12a-hexahydropyrazino[1',2':1,6]pyrido[3,4-b]indole-1,4-dione
Catalog ID
STL537175
SMILES O=C1CN(C2CCCC2)C(=O)[C@H]2N1C(c1ccccc1C)c1c(C2)c2c([nH]1)cccc2
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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 C26H27N3O2 MW 413.52 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H27N3O2/c1-16-8-2-5-11-18(16)25-24-20(19-12-6-7-13-21(19)27-24)14-22-26(31)28(15-23(30)29(22)25)17-9-3-4-10-17/h2,5-8,11-13,17,22,25,27H,3-4,9-10,14-15H2,1H3/t22-,25?/m0/s1InChIKey
ZOPXHHOLCBZBDL-XADRRFQNSA-NSynonyms
956944-34-6(12aS)2cyclopentyl6(2methylphenyl)23671212ahexahydropyrazino(1216)pyrido(34b)indole14dione
(12aS)2cyclopentyl6(otolyl)231212atetrahydropyrazino(1216)pyrido(34b)indole14(6H7H)dione
(8~(S))6cyclopentyl2(2methylphenyl)3617triazatetracyclo(8700^(38)0^(1116))heptadeca1(10)111315tetraene47dione
16400673
956944346
InChI=1SC26H27N3O2c1168251118(16)252420(1912671321(19)2724)142226(31)28(1523(30)29(22)25)179341017h258111317222527H349101415H21H3t2225?m0s1
MFCD05671810
O=C1CN(C2CCCC2)C(=O)(C@H)2N1C(c1ccccc1C)c1c(C2)c2c((nH)1)cccc2
ZINC000002111315
ZINC000002111317
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