Vitas-M small molecule compound
(5aR,8R,9S,10S,11S,11aS,12aR)-9-ethyl-7-hexyl-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
STL553414
SMILES CCCCCC[N+]12[C@H](O)[C@@H](CC)[C@@H]3C4[C@H]1CC1([C@H](C2C3)N(C)c2c1cccc2)[C@H]4O
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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 C26H39N2O2 MW 411.61 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H39N2O2/c1-4-6-7-10-13-28-20-14-17(16(5-2)25(28)30)22-21(28)15-26(24(22)29)18-11-8-9-12-19(18)27(3)23(20)26/h8-9,11-12,16-17,20-25,29-30H,4-7,10,13-15H2,1-3H3/q+1/t16-,17-,20?,21-,22?,23-,24-,25+,26?,28?/m0/s1InChIKey
DAECYOJSYCGTFP-GAFORHDKSA-NSynonyms
(5aR8R9S10S11S11aS12aR)9ethyl7hexyl813dihydroxy5methyl55a6789101111a12decahydro6101112adimethanoindolo(32b)quinolizin7iumbromide
(9~(R)12~(R)13~(S)14~(R)16~(S)18~(S))13ethyl15hexyl8methyl8aza15azoniahexacyclo(14210^(19)0^(27)0^(1015)0^(1217))nonadeca246triene1418diol
135640909
CCCCCC(N+)12(C@H)(O)(C@@H)(CC)(C@@H)3C4(C@@H)1C(C@@)1((C@H)(C2C3)N(C)c2c1cccc2)(C@H)4O(Br)
InChI=1SC26H39N2O2c1467101328201417(16(52)25(28)30)2221(28)1526(24(22)29)1811891219(18)27(3)23(20)26h891112161720252930H47101315H213H3q+1t161720?2122?232425+26?28?m0s1
ZINC001772492955
ZINC001772492962
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