Vitas-M small molecule compound
6-amino-4-{5-bromo-2-[(3-fluorobenzyl)oxy]phenyl}-3-methyl-1,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
Catalog ID
STK050589
SMILES N#CC1=C(N)Oc2c(C1c1cc(Br)ccc1OCc1cccc(c1)F)c(C)n[nH]2
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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 C21H16BrFN4O2 MW 455.29 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H16BrFN4O2/c1-11-18-19(16(9-24)20(25)29-21(18)27-26-11)15-8-13(22)5-6-17(15)28-10-12-3-2-4-14(23)7-12/h2-8,19H,10,25H2,1H3,(H,26,27)InChIKey
MLGFESTVUUGUED-UHFFFAOYSA-NSynonyms
330832-08-1330832081
6AMINO4(5BROMO2((3FLUOROBENZYL)OXY)PHENYL)3METHYL14DIHYDROPYRANO(23C)PYRAZOLE5CARBONITRILE
6AMINO4(5BROMO2((3FLUOROPHENYL)METHOXY)PHENYL)3METHYL24DIHYDROPYRANO(23C)PYRAZOLE5CARBONITRILE
6AMINO4(5BROMO2((3FLUOROPHENYL)METHOXY)PHENYL)3METHYL4HPYRANO(32D)PYRAZOLE5CARBONITRILE
CC1=C2C(C(=C(OC2=NN1)N)C#N)C3=C(C=CC(=C3)Br)OCC4=CC(=CC=C4)F
InChI=1SC21H16BrFN4O2c1111819(16(924)20(25)2921(18)272611)15813(22)5617(15)28101232414(23)712h2819H1025H21H3(H2627)
MFCD02631340
N#CC1=C(N)Oc2c(C1c1cc(Br)ccc1OCc1cccc(c1)F)c(C)n(nH)2
STK050589
ZINC000000646889
ZINC000000646890
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