Vitas-M small molecule compound
3-{2-[(6R,6aR,13S,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)-yl]-2-oxoethyl}-5,7-dimethoxy-4-methyl-2H-chromen-2-one
Catalog ID
STL536677
SMILES COc1cc(OC)cc2c1c(C)c(c(=O)o2)CC(=O)N1CCCC2=C[C@@H]3C[C@H]([C@H]12)CN1CCCC[C@H]31
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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 C29H36N2O5 MW 492.62 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H36N2O5/c1-17-22(29(33)36-25-14-21(34-2)13-24(35-3)27(17)25)15-26(32)31-10-6-7-18-11-19-12-20(28(18)31)16-30-9-5-4-8-23(19)30/h11,13-14,19-20,23,28H,4-10,12,15-16H2,1-3H3/t19-,20+,23+,28+/m0/s1InChIKey
IZXKWEZKZBABGE-LLOYEMPKSA-NSynonyms
3(2((6R6aR13R13aS)23466a78910121313adodecahydro1H613methanodipyrido(12a32e)azocin1yl)2oxoethyl)57dimethoxy4methyl2Hchromen2one
3(2((6R6aR13S13aS)34678910121313adecahydro2H613methanodipyrido(12a32e)azocin1(6aH)yl)2oxoethyl)57dimethoxy4methyl2Hchromen2one
COc1cc(OC)cc2c1c(C)c(c(=O)o2)CC(=O)N1CCCC2=C(C@H)3C(C@H)((C@H)12)CN1CCCC(C@H)31
InChI=1SC29H36N2O5c11722(29(33)36251421(342)1324(353)27(17)25)1526(32)3110671811191220(28(18)31)1630954823(19)30h11131419202328H410121516H213H3t1920+23+28+m0s1
MFCD08742419
ZINC000100787229
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