Vitas-M small molecule compound
(1S,5R)-3-[(6-{[4-(2,4-dimethylphenyl)piperazin-1-yl]methyl}-5-hydroxy-1-methyl-4-oxo-1,4-dihydropyridin-2-yl)methyl]-1,2,3,4,5,6-hexahydro-8H-1,5-methanopyrido[1,2-a][1,5]diazocin-8-one
Catalog ID
STL538787
SMILES Cc1ccc(c(c1)C)N1CCN(CC1)Cc1n(C)c(CN2C[C@H]3C[C@@H](C2)c2n(C3)c(=O)ccc2)cc(=O)c1O
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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 C31H39N5O3 MW 529.68 g/mol Purity >90% as per NMR
InChI
InChI=1S/C31H39N5O3/c1-21-7-8-26(22(2)13-21)35-11-9-33(10-12-35)20-28-31(39)29(37)15-25(32(28)3)19-34-16-23-14-24(18-34)27-5-4-6-30(38)36(27)17-23/h4-8,13,15,23-24,39H,9-12,14,16-20H2,1-3H3/t23-,24+/m0/s1InChIKey
KBBJCNQSFVYCHP-BJKOFHAPSA-NSynonyms
(1R5S)3((6((4(24dimethylphenyl)piperazin1yl)methyl)5hydroxy1methyl4oxo14dihydropyridin2yl)methyl)3456tetrahydro1H15methanopyrido(12a)(15)diazocin8(2H)one
(1S5R)3((6((4(24dimethylphenyl)piperazin1yl)methyl)5hydroxy1methyl4oxo14dihydropyridin2yl)methyl)123456hexahydro8H15methanopyrido(12a)(15)diazocin8one
Cc1ccc(c(c1)C)N1CCN(CC1)Cc1n(C)c(CN2C(C@H)3C(C@@H)(C2)c2n(C3)c(=O)ccc2)cc(=O)c1O
InChI=1SC31H39N5O3c1217826(22(2)1321)3511933(101235)202831(39)29(37)1525(32(28)3)193416231424(1834)2754630(38)36(27)1723h481315232439H912141620H213H3t2324+m0s1
ZINC000079192370
Check stock
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