Vitas-M small molecule compound
(3E)-3-[(benzylamino)methylidene]-2-(difluoromethyl)-2-hydroxy-2,3-dihydro-4H-chromen-4-one
Catalog ID
STK628042
SMILES O=C1c2ccccc2OC(/C/1=C/NCc1ccccc1)(O)C(F)F
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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 C18H15F2NO3 MW 331.32 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H15F2NO3/c19-17(20)18(23)14(11-21-10-12-6-2-1-3-7-12)16(22)13-8-4-5-9-15(13)24-18/h1-9,11,17,21,23H,10H2/b14-11+InChIKey
HBTWUHYKGMSASY-SDNWHVSQSA-NSynonyms
913711-67-8(3E)3((benzylamino)methylidene)2(difluoromethyl)2hydroxy23dihydro4Hchromen4one
(3E)3((benzylamino)methylidene)2(difluoromethyl)2hydroxychromen4one
(E)3((benzylamino)methylene)2(difluoromethyl)2hydroxychroman4one
2HYDROXY2(DIFLUOROMETHYL)3((BENZYLAMINO)METHYLENE)2H1BENZOPYRAN4(3H)ONE
913711678
C1=CC=C(C=C1)CNC=C2C(=O)C3=CC=CC=C3OC2(C(F)F)O
InChI=1SC18H15F2NO3c1917(20)18(23)14(112110126213712)16(22)13845915(13)2418h1911172123H10H2b1411+
MFCD08746354
O=C1c2ccccc2OC(C1=CNCc1ccccc1)(O)C(F)F
ZINC000009060008
ZINC000009060009
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