Vitas-M small molecule compound
2-amino-4-{3,5-dichloro-4-[(4-fluorobenzyl)oxy]phenyl}-7,7-dimethyl-5-oxo-5,6,7,8-tetrahydro-4H-chromene-3-carbonitrile
Catalog ID
STL388367
SMILES N#CC1=C(N)OC2=C(C1c1cc(Cl)c(c(c1)Cl)OCc1ccc(cc1)F)C(=O)CC(C2)(C)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 C25H21Cl2FN2O3 MW 487.36 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H21Cl2FN2O3/c1-25(2)9-19(31)22-20(10-25)33-24(30)16(11-29)21(22)14-7-17(26)23(18(27)8-14)32-12-13-3-5-15(28)6-4-13/h3-8,21H,9-10,12,30H2,1-2H3InChIKey
QPUYVSXRGSVWLG-UHFFFAOYSA-NSynonyms
2amino4(35dichloro4((4fluorobenzyl)oxy)phenyl)77dimethyl5oxo5678tetrahydro4Hchromene3carbonitrile
2AMINO4(35DICHLORO4((4FLUOROPHENYL)METHOXY)PHENYL)77DIMETHYL5OXO68DIHYDRO4HCHROMENE3CARBONITRILE
CC1(CC2=C(C(C(=C(O2)N)C#N)C3=CC(=C(C(=C3)Cl)OCC4=CC=C(C=C4)F)Cl)C(=O)C1)C
InChI=1SC25H21Cl2FN2O3c125(2)919(31)2220(1025)3324(30)16(1129)21(22)14717(26)23(18(27)814)3212133515(28)6413h3821H9101230H212H3
MFCD04151770
ZINC000008438236
ZINC000008438237
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