Vitas-M small molecule compound
5-[8-acetyl-9-hydroxy-2-(3-methylbutyl)-2,7,8,10-tetrahydropyrrolo[3',4':6,7]azepino[4,3,2-cd]indol-10-yl]-1,3-dimethyl-1,3-dihydro-2H-benzimidazol-2-one
Catalog ID
STL551078
SMILES CC(CCn1cc2c3c1cccc3N=C1C(=C(O)N(C1)C(=O)C)C2c1ccc2c(c1)n(C)c(=O)n2C)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 C29H31N5O3 MW 497.60 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H31N5O3/c1-16(2)11-12-33-14-19-25(18-9-10-22-24(13-18)32(5)29(37)31(22)4)27-21(15-34(17(3)35)28(27)36)30-20-7-6-8-23(33)26(19)20/h6-10,13-14,16,25,36H,11-12,15H2,1-5H3InChIKey
JREFBUIICILTPP-UHFFFAOYSA-NSynonyms
5(8acetyl9hydroxy2(3methylbutyl)27810tetrahydropyrrolo(3467)azepino(432cd)indol10yl)13dimethyl13dihydro2Hbenzimidazol2one
InChI=1SC29H31N5O3c116(2)111233141925(189102224(1318)32(5)29(37)31(22)4)2721(1534(17(3)35)28(27)36)302076823(33)26(19)20h6101314162536H111215H215H3
MFCD31757936
ZINC000888088635
ZINC000888088636
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