Vitas-M small molecule compound
(5aR,8R,9S,10S,11S,11aS,12aR)-9-ethyl-8,13-dihydroxy-5,7-dimethyl-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
STL553107
SMILES CCC1[C@H]2CC3[N+]([C@@H]1O)([C@H]1C2[C@H](O)C2(C3N(C)c3c2cccc3)C1)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 C21H29N2O2 MW 341.47 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H29N2O2/c1-4-11-12-9-15-18-21(13-7-5-6-8-14(13)22(18)2)10-16(17(12)19(21)24)23(15,3)20(11)25/h5-8,11-12,15-20,24-25H,4,9-10H2,1-3H3/q+1/t11?,12-,15?,16-,17?,18?,19-,20+,21?,23?/m0/s1InChIKey
NCFABVDNFAPWSM-MMWDSSFLSA-NSynonyms
(12~(R)14~(R)16~(S)18~(S))13ethyl815dimethyl8aza15azoniahexacyclo(14210^(19)0^(27)0^(1015)0^(1217))nonadeca246triene1418diol
(5aR8R9S10S11S11aS12aR)9ethyl813dihydroxy57dimethyl55a6789101111a12decahydro6101112adimethanoindolo(32b)quinolizin7iumiodide
135640878
CC(C@H)1(C@H)2CC3(N+)((C@@H)1O)((C@@H)1C2(C@H)(O)(C@)2((C@H)3N(C)c3c2cccc3)C1)C(I)
InChI=1SC21H29N2O2c1411129151821(13756814(13)22(18)2)1016(17(12)19(21)24)23(153)20(11)25h58111215202425H4910H213H3q+1t11?1215?1617?18?1920+21?23?m0s1
ZINC001772493020
ZINC001772493026
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