Vitas-M small molecule compound
(5aR,8R,9S,10R,11S,11aS,12aR,13R)-7,9-diethyl-8,13-dihydroxy-5-methyl-5,5a,6,7,8,9,10,11,11a,12-decahydro-6,10:11,12a-dimethanoindolo[3,2-b]quinolizin-7-ium bromide
Catalog ID
STL552750
SMILES CCC1[C@H]2CC3[N+]([C@@H]1O)([C@H]1C2[C@H](O)C2(C3N(C)c3c2cccc3)C1)CC
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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 C22H31N2O2 MW 355.50 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H31N2O2/c1-4-12-13-10-16-19-22(14-8-6-7-9-15(14)23(19)3)11-17(18(13)20(22)25)24(16,5-2)21(12)26/h6-9,12-13,16-21,25-26H,4-5,10-11H2,1-3H3/q+1/t12?,13-,16?,17-,18?,19?,20-,21+,22?,24?/m0/s1InChIKey
IPJIEDBVLQTGNW-HPBMMHNRSA-NSynonyms
(12~(R)14~(R)16~(S)18~(S))1315diethyl8methyl8aza15azoniahexacyclo(14210^(19)0^(27)0^(1015)0^(1217))nonadeca246triene1418diol
(5aR8R9S10R11S11aS12aR13R)79diethyl813dihydroxy5methyl55a6789101111a12decahydro6101112adimethanoindolo(32b)quinolizin7iumbromide
135640848
CC(C@H)1(C@@H)2CC3(N+)((C@@H)1O)((C@@H)1C2(C@H)(O)C2((C@H)3N(C)c3c2cccc3)C1)CC(Br)
InChI=1SC22H31N2O2c14121310161922(14867915(14)23(19)3)1117(18(13)20(22)25)24(1652)21(12)26h69121316212526H451011H213H3q+1t12?1316?1718?19?2021+22?24?m0s1
ZINC001772493107
ZINC001772493110
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