Vitas-M small molecule compound
(16E)-3-hydroxy-16-[4-(trifluoromethoxy)benzylidene]androst-5-en-17-one
Catalog ID
STL171620
SMILES OC1CCC2(C(=CCC3C2CCC2(C3C/C(=C\c3ccc(cc3)OC(F)(F)F)/C2=O)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 C27H31F3O3 MW 460.54 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H31F3O3/c1-25-11-9-19(31)15-18(25)5-8-21-22(25)10-12-26(2)23(21)14-17(24(26)32)13-16-3-6-20(7-4-16)33-27(28,29)30/h3-7,13,19,21-23,31H,8-12,14-15H2,1-2H3/b17-13+InChIKey
FXBIRHRIYHYRSO-GHRIWEEISA-NSynonyms
(16E)3hydroxy1013dimethyl16((4(trifluoromethoxy)phenyl)methylidene)23478911121415decahydro1Hcyclopenta(a)phenanthren17one
(16E)3hydroxy16(4(trifluoromethoxy)benzylidene)androst5en17one
CC12CCC(CC1=CCC3C2CCC4(C3CC(=CC5=CC=C(C=C5)OC(F)(F)F)C4=O)C)O
InChI=1SC27H31F3O3c12511919(31)1518(25)582122(25)101226(2)23(21)1417(24(26)32)13163620(7416)3327(2829)30h371319212331H8121415H212H3b1713+
MFCD04046403
OC1CCC2(C(=CCC3C2CCC2(C3CC(=Cc3ccc(cc3)OC(F)(F)F)C2=O)C)C1)C
ZINC000252430698
ZINC000253508396
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