Vitas-M small molecule compound
(12aS)-2-(3-methylbutyl)-6-(4-methylphenyl)-2,3,6,7,12,12a-hexahydropyrazino[1',2':1,6]pyrido[3,4-b]indole-1,4-dione
Catalog ID
STL537254
SMILES CC(CCN1CC(=O)N2[C@H](C1=O)Cc1c(C2c2ccc(cc2)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 C26H29N3O2 MW 415.54 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H29N3O2/c1-16(2)12-13-28-15-23(30)29-22(26(28)31)14-20-19-6-4-5-7-21(19)27-24(20)25(29)18-10-8-17(3)9-11-18/h4-11,16,22,25,27H,12-15H2,1-3H3/t22-,25?/m0/s1InChIKey
VZUGWTAVVSNFNP-XADRRFQNSA-NSynonyms
956955-90-1(12aS)2(3methylbutyl)6(4methylphenyl)23671212ahexahydropyrazino(1216)pyrido(34b)indole14dione
(12aS)2isopentyl6(ptolyl)231212atetrahydropyrazino(1216)pyrido(34b)indole14(6H7H)dione
(8~(S))6(3methylbutyl)2(4methylphenyl)3617triazatetracyclo(8700^(38)0^(1116))heptadeca1(10)111315tetraene47dione
16399887
956955901
CC(CCN1CC(=O)N2(C@H)(C1=O)Cc1c(C2c2ccc(cc2)C)(nH)c2c1cccc2)C
InChI=1SC26H29N3O2c116(2)1213281523(30)2922(26(28)31)142019645721(19)2724(20)25(29)1810817(3)91118h41116222527H1215H213H3t2225?m0s1
MFCD04146280
ZINC000002105513
ZINC000002105514
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