Vitas-M small molecule compound
2-amino-4-[3-(3-fluoro-4-methylphenyl)-1-phenyl-1H-pyrazol-4-yl]-7,7-dimethyl-5-oxo-5,6,7,8-tetrahydro-4H-chromene-3-carbonitrile
Catalog ID
STK820380
SMILES N#CC1=C(N)OC2=C(C1c1cn(nc1c1ccc(c(c1)F)C)c1ccccc1)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 C28H25FN4O2 MW 468.53 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H25FN4O2/c1-16-9-10-17(11-21(16)29)26-20(15-33(32-26)18-7-5-4-6-8-18)24-19(14-30)27(31)35-23-13-28(2,3)12-22(34)25(23)24/h4-11,15,24H,12-13,31H2,1-3H3InChIKey
MYRQYEJQWBPPJF-UHFFFAOYSA-NSynonyms
2amino4(3(3fluoro4methylphenyl)1phenyl1Hpyrazol4yl)77dimethyl5oxo5678tetrahydro4Hchromene3carbonitrile
2amino4(3(3fluoro4methylphenyl)1phenylpyrazol4yl)77dimethyl5oxo68dihydro4Hchromene3carbonitrile
CC1=C(C=C(C=C1)C2=NN(C=C2C3C(=C(OC4=C3C(=O)CC(C4)(C)C)N)C#N)C5=CC=CC=C5)F
InChI=1SC28H25FN4O2c11691017(1121(16)29)2620(1533(3226)187546818)2419(1430)27(31)35231328(23)1222(34)25(23)24h4111524H121331H213H3
MFCD06644911
ZINC000016741426
ZINC000016741427
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