Vitas-M small molecule compound

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

Catalog ID
STK761264
SMILES N#CC1=C(N)OC2=C(C1c1c(C)nn(c1Cl)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 C22H21ClN4O2 MW 408.89 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H21ClN4O2/c1-12-17(20(23)27(26-12)13-7-5-4-6-8-13)18-14(11-24)21(25)29-16-10-22(2,3)9-15(28)19(16)18/h4-8,18H,9-10,25H2,1-3H3
InChIKey
CURXECZFPFVPRY-UHFFFAOYSA-N
Synonyms
309926-93-0
2amino4(5chloro3methyl1phenyl1Hpyrazol4yl)77dimethyl5oxo5678tetrahydro4Hchromene3carbonitrile
2amino4(5chloro3methyl1phenylpyrazol4yl)77dimethyl5oxo68dihydro4Hchromene3carbonitrile
309926930
CC1=NN(C(=C1C2C(=C(OC3=C2C(=O)CC(C3)(C)C)N)C#N)Cl)C4=CC=CC=C4
InChI=1SC22H21ClN4O2c11217(20(23)27(2612)137546813)1814(1124)21(25)29161022(23)915(28)19(16)18h4818H91025H213H3
MFCD01416812
ZINC000000850018
ZINC000000850019

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Available files

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