Vitas-M small molecule compound
(8xi,9xi,14xi,16alpha,20E)-20-(hydroxyimino)-17-(pyridinium-1-yl)pregn-5-ene-3,16-diol
Catalog ID
STL581409
SMILES O/N=C(/[C@]1([C@H](O)CC2[C@]1(C)CCC1C2CC=C2[C@]1(C)CCC(C2)O)[n+]1ccccc1)\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 C26H37N2O3 MW 425.59 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H36N2O3/c1-17(27-31)26(28-13-5-4-6-14-28)23(30)16-22-20-8-7-18-15-19(29)9-11-24(18,2)21(20)10-12-25(22,26)3/h4-7,13-14,19-23,29-30H,8-12,15-16H2,1-3H3/p+1/b27-17+/t19?,20?,21?,22?,23-,24+,25+,26-/m1/s1InChIKey
GVQQNLKRJFAPTL-VPTYXBMFSA-OSynonyms
(8xi9xi14xi16alpha20E)20(hydroxyimino)17(pyridinium1yl)pregn5ene316diol
1((10R13S16R17R)316dihydroxy17((E)1(hydroxyimino)ethyl)1013dimethyl2347891011121314151617tetradecahydro1Hcyclopenta(a)phenanthren17yl)pyridin1iumchloride
InChI=1SC26H36N2O3c117(2731)26(28135461428)23(30)16222087181519(29)91124(182)21(20)101225(2226)3h47131419232930H8121516H213H3p+1b2717+t19?20?21?22?2324+25+26m1s1
ON=C((C@)1((C@H)(O)CC2(C@)1(C)CCC1C2CC=C2(C@)1(C)CCC(C2)O)(n+)1ccccc1)C(Cl)
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