Vitas-M small molecule compound
(3aR,3a1S,5R,5aR,10bR)-13-(2-(3,4-dimethoxyphenyl)-2-oxoethyl)-5-(methoxycarbonyl)-1,2,3,3a1,4,5,6,11,12,13-decahydro-3a,5a-ethanoindolizino[8,1-cd]carbazol-13-ium bromide
Catalog ID
STL553520
SMILES COC(=O)[C@@H]1C[C@@]23CCC[N+]4([C@@H]3[C@@]3([C@]1(CC2)Nc1c3cccc1)CC4)CC(=O)c1ccc(c(c1)OC)OC
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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 C31H37N2O5 MW 517.65 g/mol Purity >90% as per NMR
InChI
InChI=1S/C31H37N2O5/c1-36-25-10-9-20(17-26(25)37-2)24(34)19-33-15-6-11-29-12-13-31(22(18-29)27(35)38-3)30(14-16-33,28(29)33)21-7-4-5-8-23(21)32-31/h4-5,7-10,17,22,28,32H,6,11-16,18-19H2,1-3H3/q+1/t22-,28-,29+,30+,31+,33?/m0/s1InChIKey
UIXRDYIGJLVOGC-ZIVZNQHNSA-NSynonyms
(3aR3a1S5R5aR10bR)13(2(34dimethoxyphenyl)2oxoethyl)5(methoxycarbonyl)1233a1456111213decahydro3a5aethanoindolizino(81cd)carbazol13iumbromide
129895595
COC(=O)(C@@H)1C(C@@)23CCC(N+)4((C@@H)3(C@@)3((C@)1(CC2)Nc1c3cccc1)CC4)CC(=O)c1ccc(c(c1)OC)OC(Br)
InChI=1SC31H37N2O5c1362510920(1726(25)372)24(34)19331561129121331(22(1829)27(35)383)30(14163328(29)33)21745823(21)3231h4571017222832H611161819H213H3q+1t222829+30+31+33?m0s1
methyl(1~(R)9~(R)16~(R)18~(R)21~(S))12(2(34dimethoxyphenyl)2oxoethyl)2aza12azoniahexacyclo(14221^(912)0^(19)0^(38)0^(1621))henicosa357triene18carboxylate
ZINC000524731363
ZINC000524731364
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