Vitas-M small molecule compound

2-amino-4-{3-ethoxy-4-[(2-fluorobenzyl)oxy]phenyl}-5-oxo-5,6,7,8-tetrahydro-4H-chromene-3-carbonitrile

Catalog ID
STL379738
SMILES CCOc1cc(ccc1OCc1ccccc1F)C1C(=C(N)OC2=C1C(=O)CCC2)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 C25H23FN2O4 MW 434.47 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H23FN2O4/c1-2-30-22-12-15(10-11-20(22)31-14-16-6-3-4-7-18(16)26)23-17(13-27)25(28)32-21-9-5-8-19(29)24(21)23/h3-4,6-7,10-12,23H,2,5,8-9,14,28H2,1H3
InChIKey
QBHOSCZHLJUHLB-UHFFFAOYSA-N
Synonyms

2amino4(3ethoxy4((2fluorobenzyl)oxy)phenyl)5oxo5678tetrahydro4Hchromene3carbonitrile
2amino4(3ethoxy4((2fluorophenyl)methoxy)phenyl)5oxo4678tetrahydrochromene3carbonitrile
2AMINO4(3ETHOXY4((2FLUOROPHENYL)METHOXY)PHENYL)5OXO4H678TRIHYDROCHROMENE3CARBONITRILE
CCOC1=C(C=CC(=C1)C2C(=C(OC3=C2C(=O)CCC3)N)C#N)OCC4=CC=CC=C4F
InChI=1SC25H23FN2O4c1230221215(101120(22)311416634718(16)26)2317(1327)25(28)322195819(29)24(21)23h3467101223H25891428H21H3
MFCD05239512
ZINC000000800754
ZINC000000800755

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Available files

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