Vitas-M small molecule compound
(3aR,3a1R,5R,5aR,10bR)-6-acetyl-5-(methoxycarbonyl)-13-methyl-1,2,3,3a1,4,5,6,11,12,13-decahydro-3a,5a-ethanoindolizino[8,1-cd]carbazol-13-ium iodide
Catalog ID
STL553359
SMILES COC(=O)[C@@H]1C[C@@]23CCC[N+]4([C@H]3[C@@]3([C@]1(CC2)N(C(=O)C)c1c3cccc1)CC4)C
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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 C24H31N2O3 MW 395.52 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H31N2O3/c1-16(27)25-19-8-5-4-7-17(19)23-12-14-26(2)13-6-9-22(21(23)26)10-11-24(23,25)18(15-22)20(28)29-3/h4-5,7-8,18,21H,6,9-15H2,1-3H3/q+1/t18-,21+,22+,23+,24+,26?/m0/s1InChIKey
AVRZAJRDJDMMDG-BAONPRDCSA-NSynonyms
(3aR3a1R5R5aR10bR)6acetyl5(methoxycarbonyl)13methyl1233a1456111213decahydro3a5aethanoindolizino(81cd)carbazol13iumiodide
39378265
COC(=O)(C@@H)1C(C@@)23CCC(N+)4((C@H)3(C@@)3((C@)1(CC2)N(C(=O)C)c1c3cccc1)CC4)C(I)
InChI=1SC24H31N2O3c116(27)2519854717(19)23121426(2)136922(21(23)26)101124(2325)18(1522)20(28)293h45781821H6915H213H3q+1t1821+22+23+24+26?m0s1
methyl(1~(R)9~(R)16~(R)18~(R)21~(R))2acetyl12methyl2aza12azoniahexacyclo(14221^(912)0^(19)0^(38)0^(1621))henicosa357triene18carboxylate
ZINC000252460007
ZINC000252460008
ZINC32124389
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