Vitas-M small molecule compound
(5aR,8R,9S,10R,11S,11aS,12aR,13R)-7-(2-ethoxy-2-oxoethyl)-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 bromide
Catalog ID
STL553227
SMILES CCOC(=O)C[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 C24H33N2O4 MW 413.54 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H33N2O4/c1-4-13-14-10-17-21-24(15-8-6-7-9-16(15)25(21)3)11-18(20(14)22(24)28)26(17,23(13)29)12-19(27)30-5-2/h6-9,13-14,17-18,20-23,28-29H,4-5,10-12H2,1-3H3/q+1/t13?,14-,17?,18-,20?,21?,22-,23+,24?,26?/m0/s1InChIKey
HCECXNKBMVAQIW-IYIBUBGWSA-NSynonyms
(5aR8R9S10R11S11aS12aR13R)7(2ethoxy2oxoethyl)9ethyl813dihydroxy5methyl55a6789101111a12decahydro6101112adimethanoindolo(32b)quinolizin7iumbromide
135640901
CCOC(=O)C(N+)12(C@H)(O)(C@@H)(CC)(C@H)3C4(C@@H)1CC1((C@H)(C2C3)N(C)c2c1cccc2)(C@H)4O(Br)
ethyl2((12~(R)14~(R)16~(S)18~(S))13ethyl1418dihydroxy8methyl8aza15azoniahexacyclo(14210^(19)0^(27)0^(1015)0^(1217))nonadeca246trien15yl)acetate
InChI=1SC24H33N2O4c14131410172124(15867916(15)25(21)3)1118(20(14)22(24)28)26(1723(13)29)1219(27)3052h691314171820232829H451012H213H3q+1t13?1417?1820?21?2223+24?26?m0s1
ZINC000252460645
ZINC001772492973
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