Vitas-M small molecule compound

(16E)-16-(4-fluorobenzylidene)androst-5-ene-3,17-diol

Catalog ID
STK774170
SMILES OC1CCC2(C(=CCC3C2CCC2(C3C/C(=C\c3ccc(cc3)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 C26H33FO2 MW 396.55 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H33FO2/c1-25-11-9-20(28)15-18(25)5-8-21-22(25)10-12-26(2)23(21)14-17(24(26)29)13-16-3-6-19(27)7-4-16/h3-7,13,20-24,28-29H,8-12,14-15H2,1-2H3/b17-13+
InChIKey
PMEHFZAZGYAERC-GHRIWEEISA-N
Synonyms

(16E)16((4fluorophenyl)methylidene)1013dimethyl12347891112141517dodecahydrocyclopenta(a)phenanthrene317diol
(16E)16(4fluorobenzylidene)androst5ene317diol
CC12CCC(CC1=CCC3C2CCC4(C3CC(=CC5=CC=C(C=C5)F)C4O)C)O
InChI=1SC26H33FO2c12511920(28)1518(25)582122(25)101226(2)23(21)1417(24(26)29)13163619(27)7416h371320242829H8121415H212H3b1713+
MFCD03720685
OC1CCC2(C(=CCC3C2CCC2(C3CC(=Cc3ccc(cc3)F)C2O)C)C1)C
ZINC000253499520
ZINC000253499528

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Available files

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