Vitas-M small molecule compound

(5aR,8R,9S,10R,11S,11aS,13S)-9-ethyl-8,13-dihydroxy-5-methyl-7-((tetrahydro-2H-pyran-2-yl)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
STL553462
SMILES CC[C@H]1[C@H]2CC3[N+]([C@@H]1O)([C@H]1C2[C@H](O)C2([C@H]3N(C)c3c2cccc3)C1)CC1CCCCO1

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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 C26H37N2O3 MW 425.59 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H37N2O3/c1-3-16-17-12-20-23-26(18-9-4-5-10-19(18)27(23)2)13-21(22(17)24(26)29)28(20,25(16)30)14-15-8-6-7-11-31-15/h4-5,9-10,15-17,20-25,29-30H,3,6-8,11-14H2,1-2H3/q+1/t15?,16-,17-,20?,21-,22?,23-,24-,25+,26?,28?/m0/s1
InChIKey
XOSGGNQJKNBDSY-AVAZQCSDSA-N
Synonyms

(5aR8R9S10R11S11aS13S)9ethyl813dihydroxy5methyl7((tetrahydro2Hpyran2yl)methyl)55a6789101111a12decahydro6101112adimethanoindolo(32b)quinolizin7iumbromide
(9~(R)12~(R)13~(S)14~(R)16~(S)18~(S))13ethyl8methyl15(oxan2ylmethyl)8aza15azoniahexacyclo(14210^(19)0^(27)0^(1015)0^(1217))nonadeca246triene1418diol
16401208
CC(C@H)1(C@@H)2CC3(N+)((C@@H)1O)((C@@H)1C2(C@H)(O)C2((C@H)3N(C)c3c2cccc3)C1)CC1CCCCO1(Br)
InChI=1SC26H37N2O3c13161712202326(189451019(18)27(23)2)1321(22(17)24(26)29)28(2025(16)30)1415867113115h45910151720252930H3681114H212H3q+1t15?161720?2122?232425+26?28?m0s1
ZINC000252462934
ZINC000252462937

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Available files

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