Vitas-M small molecule compound
3-[(6R,6aR,13aS)-3,4,6,7,8,9,10,12,13,13a-decahydro-2H-6,13-methanodipyrido[1,2-a:3',2'-e]azocin-1(6aH)-ylcarbonyl]-1-ethyl-7-methyl-1,8-naphthyridin-4(1H)-one
Catalog ID
STL550902
SMILES CCn1cc(C(=O)N2CCCC3=C[C@@H]4C[C@H]([C@H]23)CN2CCCC[C@H]42)c(=O)c2c1nc(C)cc2
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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 C27H34N4O2 MW 446.59 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H34N4O2/c1-3-29-16-22(25(32)21-10-9-17(2)28-26(21)29)27(33)31-12-6-7-18-13-19-14-20(24(18)31)15-30-11-5-4-8-23(19)30/h9-10,13,16,19-20,23-24H,3-8,11-12,14-15H2,1-2H3/t19-,20+,23+,24+/m0/s1InChIKey
DOQURURDRCHPEJ-HBUYNFGHSA-NSynonyms
3((6R13R)23466a78910121313adodecahydro1H613methanodipyrido(12a32e)azocine1carbonyl)1ethyl7methyl18naphthyridin4(1H)one
3((6R6aR13aS)34678910121313adecahydro2H613methanodipyrido(12a32e)azocin1(6aH)ylcarbonyl)1ethyl7methyl18naphthyridin4(1H)one
CCn1cc(C(=O)N2CCCC3=C(C@H)4C(C@@H)((C@@H)23)CN2CCCC(C@H)42)c(=O)c2c1nc(C)cc2
InChI=1SC27H34N4O2c13291622(25(32)2110917(2)2826(21)29)27(33)3112671813191420(24(18)31)15301154823(19)30h910131619202324H3811121415H212H3t1920+23+24+m0s1
ZINC000888088092
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