Vitas-M small molecule compound
(8R,10R,11S,11aS,12aR,13R)-7-allyl-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
STL553442
SMILES C=CC[N+]12[C@@H]3C[C@@]45C(C2C[C@@H](C3C4O)C([C@H]1O)CC)N(C)c1c5cccc1
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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 C23H31N2O2 MW 367.51 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H31N2O2/c1-4-10-25-17-11-14(13(5-2)22(25)27)19-18(25)12-23(21(19)26)15-8-6-7-9-16(15)24(3)20(17)23/h4,6-9,13-14,17-22,26-27H,1,5,10-12H2,2-3H3/q+1/t13?,14-,17?,18-,19?,20?,21?,22+,23+,25?/m0/s1InChIKey
LSVIWPNZJIGKRQ-DBBAQPDRSA-NSynonyms
(1~(R)12~(R)14~(R)16~(S))13ethyl8methyl15prop2enyl8aza15azoniahexacyclo(14210^(19)0^(27)0^(1015)0^(1217))nonadeca246triene1418diol
(5aR8R9S10R11S11aS12aR13R)7allyl9ethyl813dihydroxy5methyl55a6789101111a12decahydro6101112adimethanoindolo(32b)quinolizin7iumbromide
135640911
C=CC(N+)12(C@H)3C(C@@)45(C@H)(C2C(C@H)(C3C4O)(C@@H)((C@H)1O)CC)N(C)c1c5cccc1(Br)
InChI=1SC23H31N2O2c141025171114(13(52)22(25)27)1918(25)1223(21(19)26)15867916(15)24(3)20(17)23h469131417222627H151012H223H3q+1t13?1417?1819?20?21?22+23+25?m0s1
ZINC000252461274
ZINC001772493011
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