Vitas-M small molecule compound

4-(2-chloro-6-fluorophenyl)-7,7-dimethyl-5-oxo-2-(1H-pyrrol-1-yl)-5,6,7,8-tetrahydro-4H-chromene-3-carbonitrile

Catalog ID
STK783504
SMILES N#CC1=C(OC2=C(C1c1c(F)cccc1Cl)C(=O)CC(C2)(C)C)n1cccc1

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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 C22H18ClFN2O2 MW 396.85 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H18ClFN2O2/c1-22(2)10-16(27)20-17(11-22)28-21(26-8-3-4-9-26)13(12-25)18(20)19-14(23)6-5-7-15(19)24/h3-9,18H,10-11H2,1-2H3
InChIKey
XUIYISMMAGIXFV-UHFFFAOYSA-N
Synonyms

4(2chloro6fluorophenyl)77dimethyl5oxo2(1Hpyrrol1yl)5678tetrahydro4Hchromene3carbonitrile
4(2CHLORO6FLUOROPHENYL)77DIMETHYL5OXO2PYRROL1YL68DIHYDRO4HCHROMENE3CARBONITRILE
CC1(CC2=C(C(C(=C(O2)N3C=CC=C3)C#N)C4=C(C=CC=C4Cl)F)C(=O)C1)C
InChI=1SC22H18ClFN2O2c122(2)1016(27)2017(1122)2821(26834926)13(1225)18(20)1914(23)65715(19)24h3918H1011H212H3
MFCD06618329
ZINC000004751363
ZINC000004751364

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Available files

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