Vitas-M small molecule compound
(12aS)-2-(butan-2-yl)-6-(3-methylphenyl)-2,3,6,7,12,12a-hexahydropyrazino[1',2':1,6]pyrido[3,4-b]indole-1,4-dione
Catalog ID
STL536864
SMILES CCC(N1CC(=O)N2[C@H](C1=O)Cc1c(C2c2cccc(c2)C)[nH]c2c1cccc2)C
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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 C25H27N3O2 MW 401.51 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H27N3O2/c1-4-16(3)27-14-22(29)28-21(25(27)30)13-19-18-10-5-6-11-20(18)26-23(19)24(28)17-9-7-8-15(2)12-17/h5-12,16,21,24,26H,4,13-14H2,1-3H3/t16?,21-,24?/m0/s1InChIKey
DFFCUBDTTVOEMO-DLQTWLKSSA-NSynonyms
956993-27-4(12aS)2(butan2yl)6(3methylphenyl)23671212ahexahydropyrazino(1216)pyrido(34b)indole14dione
(12aS)2(secbutyl)6(mtolyl)231212atetrahydropyrazino(1216)pyrido(34b)indole14(6H7H)dione
(8~(S))6butan2yl2(3methylphenyl)3617triazatetracyclo(8700^(38)0^(1116))heptadeca1(10)111315tetraene47dione
16399997
956993274
CCC(N1CC(=O)N2(C@H)(C1=O)Cc1c(C2c2cccc(c2)C)(nH)c2c1cccc2)C
InChI=1SC25H27N3O2c1416(3)271422(29)2821(25(27)30)13191810561120(18)2623(19)24(28)1797815(2)1217h51216212426H41314H213H3t16?2124?m0s1
MFCD04146999
ZINC000002108128
ZINC000002108132
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