Vitas-M small molecule compound
(5aR,8R,9S,10R,11S,11aS,12aR)-7-butyl-9-ethyl-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 iodide
Catalog ID
STL553095
SMILES CCCC[N+]12[C@H](O)C(CC)[C@@H]3C4[C@H]1CC1(C(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 C24H35N2O2 MW 383.55 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H35N2O2/c1-4-6-11-26-18-12-15(14(5-2)23(26)28)20-19(26)13-24(22(20)27)16-9-7-8-10-17(16)25(3)21(18)24/h7-10,14-15,18-23,27-28H,4-6,11-13H2,1-3H3/q+1/t14?,15-,18?,19-,20?,21?,22-,23+,24?,26?/m0/s1InChIKey
LCYPYTJALPJIBU-JGLFPENLSA-NSynonyms
(12~(R)14~(R)16~(S)18~(S))15butyl13ethyl8methyl8aza15azoniahexacyclo(14210^(19)0^(27)0^(1015)0^(1217))nonadeca246triene1418diol
(5aR8R9S10R11S11aS12aR13R)7butyl9ethyl813dihydroxy5methyl55a6789101111a12decahydro6101112adimethanoindolo(32b)quinolizin7iumbromide
135640874
CCCC(N+)12(C@H)(O)(C@@H)(CC)(C@H)3C4(C@@H)1C(C@@)1((C@H)(C2C3)N(C)c2c1cccc2)C4O(Br)
InChI=1SC24H35N2O2c1461126181215(14(52)23(26)28)2019(26)1324(22(20)27)169781017(16)25(3)21(18)24h710141518232728H461113H213H3q+1t14?1518?1920?21?2223+24?26?m0s1
ZINC001772492992
ZINC001772492997
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