Vitas-M small molecule compound
3-{2-[(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-methoxy-4,7-dimethyl-2H-chromen-2-one
Catalog ID
STL534966
SMILES COc1cc(C)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 C29H36N2O4 MW 476.62 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H36N2O4/c1-17-11-24(34-3)27-18(2)22(29(33)35-25(27)12-17)15-26(32)31-10-6-7-19-13-20-14-21(28(19)31)16-30-9-5-4-8-23(20)30/h11-13,20-21,23,28H,4-10,14-16H2,1-3H3/t20-,21+,23+,28+/m0/s1InChIKey
GVZKSVPLOKPVRT-GVPUVRQISA-NSynonyms
3(2((6aR13S13aS)34678910121313adecahydro2H613methanodipyrido(12a32e)azocin1(6aH)yl)2oxoethyl)5methoxy47dimethyl2Hchromen2one
3(2((6R6aR13R13aS)23466a78910121313adodecahydro1H613methanodipyrido(12a32e)azocin1yl)2oxoethyl)5methoxy47dimethyl2Hchromen2one
COc1cc(C)cc2c1c(C)c(c(=O)o2)CC(=O)N1CCCC2=C(C@H)3C(C@H)((C@H)12)CN1CCCC(C@H)31
InChI=1SC29H36N2O4c1171124(343)2718(2)22(29(33)3525(27)1217)1526(32)3110671913201421(28(19)31)1630954823(20)30h111320212328H4101416H213H3t2021+23+28+m0s1
MFCD09792851
ZINC000105384294
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