Vitas-M small molecule compound
(5aR,8R,9S,10S,11S,11aS,12aR)-9-ethyl-7-heptyl-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
STL553397
SMILES CCCCCCC[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 C27H41N2O2 MW 425.63 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H41N2O2/c1-4-6-7-8-11-14-29-21-15-18(17(5-2)26(29)31)23-22(29)16-27(25(23)30)19-12-9-10-13-20(19)28(3)24(21)27/h9-10,12-13,17-18,21-26,30-31H,4-8,11,14-16H2,1-3H3/q+1/t17-,18-,21?,22-,23?,24-,25-,26+,27?,29?/m0/s1InChIKey
IBLGFCZQHLJEGS-CCCGZCIBSA-NSynonyms
(5aR8R9S10S11S11aS12aR)9ethyl7heptyl813dihydroxy5methyl55a6789101111a12decahydro6101112adimethanoindolo(32b)quinolizin7iumiodide
(9~(R)12~(R)13~(S)14~(R)16~(S)18~(S))13ethyl15heptyl8methyl8aza15azoniahexacyclo(14210^(19)0^(27)0^(1015)0^(1217))nonadeca246triene1418diol
135640905
CCCCCCC(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(I)
InChI=1SC27H41N2O2c14678111429211518(17(52)26(29)31)2322(29)1627(25(23)30)19129101320(19)28(3)24(21)27h9101213171821263031H48111416H213H3q+1t171821?2223?242526+27?29?m0s1
ZINC001772492974
ZINC001772492980
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