Vitas-M small molecule compound
(8xi,9xi,14xi)-17-({[(E)-(2-hydroxy-5-nitrophenyl)methylidene]amino}methyl)androstan-17-ol
Catalog ID
STL540491
SMILES Oc1ccc(cc1/C=N/CC1(O)CCC2[C@]1(C)CCC1C2CCC2[C@]1(C)CCCC2)[N+](=O)[O-]
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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 C27H38N2O4 MW 454.61 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H38N2O4/c1-25-12-4-3-5-19(25)6-8-21-22(25)10-13-26(2)23(21)11-14-27(26,31)17-28-16-18-15-20(29(32)33)7-9-24(18)30/h7,9,15-16,19,21-23,30-31H,3-6,8,10-14,17H2,1-2H3/b28-16+/t19?,21?,22?,23?,25-,26-,27?/m0/s1InChIKey
COCUESNLFPKATM-YYPCYELYSA-NSynonyms
(10S13S17R)17(((Z)(2hydroxy5nitrobenzylidene)amino)methyl)1013dimethylhexadecahydro1Hcyclopenta(a)phenanthren17ol
(8xi9xi14xi)17((((E)(2hydroxy5nitrophenyl)methylidene)amino)methyl)androstan17ol
InChI=1SC27H38N2O4c1251243519(25)682122(25)101326(2)23(21)111427(2631)172816181520(29(32)33)7924(18)30h7915161921233031H368101417H212H3b2816+t19?21?22?23?252627?m0s1
MFCD07795514
Oc1ccc(cc1C=NC(C@@)1(O)CCC2(C@)1(C)CCC1C2CCC2(C@)1(C)CCCC2)(N+)(=O)(O)
ZINC000019703168
ZINC000253501632
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