Vitas-M small molecule compound
(2E)-2-cyano-3-{3-ethoxy-4-[(2-fluorobenzyl)oxy]phenyl}prop-2-enethioamide
Catalog ID
STL376672
SMILES CCOc1cc(ccc1OCc1ccccc1F)/C=C(/C(=S)N)\C#N
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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 C19H17FN2O2S MW 356.42 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H17FN2O2S/c1-2-23-18-10-13(9-15(11-21)19(22)25)7-8-17(18)24-12-14-5-3-4-6-16(14)20/h3-10H,2,12H2,1H3,(H2,22,25)/b15-9+InChIKey
QGKFYHNOPKPWMW-OQLLNIDSSA-NSynonyms
(2E)2cyano3(3ethoxy4((2fluorobenzyl)oxy)phenyl)prop2enethioamide
(E)2CYANO3(3ETHOXY4((2FLUOROPHENYL)METHOXY)PHENYL)PROP2ENETHIOAMIDE
CCOC1=C(C=CC(=C1)C=C(C#N)C(=S)N)OCC2=CC=CC=C2F
CCOc1cc(ccc1OCc1ccccc1F)C=C(C(=S)N)C#N
InChI=1SC19H17FN2O2Sc1223181013(915(1121)19(22)25)7817(18)241214534616(14)20h310H212H21H3(H22225)b159+
MFCD06632408
ZINC000002888697
ZINC02888697
ZINC2888697
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