Vitas-M small molecule compound
(16E)-16-[4-(trifluoromethyl)benzylidene]androst-5-ene-3,17-diol
Catalog ID
STK773238
SMILES OC1CCC2(C(=CCC3C2CCC2(C3C/C(=C\c3ccc(cc3)C(F)(F)F)/C2O)C)C1)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 C27H33F3O2 MW 446.55 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H33F3O2/c1-25-11-9-20(31)15-19(25)7-8-21-22(25)10-12-26(2)23(21)14-17(24(26)32)13-16-3-5-18(6-4-16)27(28,29)30/h3-7,13,20-24,31-32H,8-12,14-15H2,1-2H3/b17-13+InChIKey
IVXHYDUXTYURSY-GHRIWEEISA-NSynonyms
(16E)1013dimethyl16((4(trifluoromethyl)phenyl)methylidene)12347891112141517dodecahydrocyclopenta(a)phenanthrene317diol
(16E)16(4(trifluoromethyl)benzylidene)androst5ene317diol
CC12CCC(CC1=CCC3C2CCC4(C3CC(=CC5=CC=C(C=C5)C(F)(F)F)C4O)C)O
InChI=1SC27H33F3O2c12511920(31)1519(25)782122(25)101226(2)23(21)1417(24(26)32)13163518(6416)27(2829)30h371320243132H8121415H212H3b1713+
MFCD03759646
OC1CCC2(C(=CCC3C2CCC2(C3CC(=Cc3ccc(cc3)C(F)(F)F)C2O)C)C1)C
ZINC000253498541
ZINC000253498544
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