Vitas-M small molecule compound
(5aR,8R,9S,10S,11S,11aS,12aR)-9-ethyl-8,13-dihydroxy-5-methyl-7-undecyl-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
STL553408
SMILES CCCCCCCCCCC[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 C31H49N2O2 MW 481.74 g/mol Purity >90% as per NMR
InChI
InChI=1S/C31H49N2O2/c1-4-6-7-8-9-10-11-12-15-18-33-25-19-22(21(5-2)30(33)35)27-26(33)20-31(29(27)34)23-16-13-14-17-24(23)32(3)28(25)31/h13-14,16-17,21-22,25-30,34-35H,4-12,15,18-20H2,1-3H3/q+1/t21-,22-,25?,26-,27?,28-,29-,30+,31?,33?/m0/s1InChIKey
ZFDBVXHVLAYZFS-QPUVVTLJSA-NSynonyms
(5aR8R9S10S11S11aS12aR)9ethyl813dihydroxy5methyl7undecyl55a6789101111a12decahydro6101112adimethanoindolo(32b)quinolizin7iumbromide
(9~(R)12~(R)13~(S)14~(R)16~(S)18~(S))13ethyl8methyl15undecyl8aza15azoniahexacyclo(14210^(19)0^(27)0^(1015)0^(1217))nonadeca246triene1418diol
135640907
CCCCCCCCCCC(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(Br)
InChI=1SC31H49N2O2c146789101112151833251922(21(52)30(33)35)2726(33)2031(29(27)34)231613141724(23)32(3)28(25)31h13141617212225303435H412151820H213H3q+1t212225?2627?282930+31?33?m0s1
ZINC001772493047
ZINC001772493050
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