Vitas-M small molecule compound

2-amino-7,7-dimethyl-4-[3-(4-methylphenyl)-1-phenyl-1H-pyrazol-4-yl]-5-oxo-5,6,7,8-tetrahydro-4H-chromene-3-carbonitrile

Catalog ID
STK820374
SMILES N#CC1=C(N)OC2=C(C1c1cn(nc1c1ccc(cc1)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 C28H26N4O2 MW 450.54 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H26N4O2/c1-17-9-11-18(12-10-17)26-21(16-32(31-26)19-7-5-4-6-8-19)24-20(15-29)27(30)34-23-14-28(2,3)13-22(33)25(23)24/h4-12,16,24H,13-14,30H2,1-3H3
InChIKey
KTFXEZRFIXWUKB-UHFFFAOYSA-N
Synonyms

2amino77dimethyl4(3(4methylphenyl)1phenyl1Hpyrazol4yl)5oxo5678tetrahydro4Hchromene3carbonitrile
2amino77dimethyl4(3(4methylphenyl)1phenylpyrazol4yl)5oxo68dihydro4Hchromene3carbonitrile
CC1=CC=C(C=C1)C2=NN(C=C2C3C(=C(OC4=C3C(=O)CC(C4)(C)C)N)C#N)C5=CC=CC=C5
InChI=1SC28H26N4O2c11791118(121017)2621(1632(3126)197546819)2420(1529)27(30)34231428(23)1322(33)25(23)24h4121624H131430H213H3
MFCD06644905
ZINC000009223191
ZINC000009223192

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Available files

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