Vitas-M small molecule compound

2-amino-4-{5-[(2-chloro-4-fluorophenoxy)methyl]-2,4-dimethylphenyl}-7,7-dimethyl-5-oxo-5,6,7,8-tetrahydro-4H-chromene-3-carbonitrile

Catalog ID
STK956004
SMILES N#CC1=C(N)OC2=C(C1c1cc(COc3ccc(cc3Cl)F)c(cc1C)C)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 C27H26ClFN2O3 MW 480.97 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H26ClFN2O3/c1-14-7-15(2)18(8-16(14)13-33-22-6-5-17(29)9-20(22)28)24-19(12-30)26(31)34-23-11-27(3,4)10-21(32)25(23)24/h5-9,24H,10-11,13,31H2,1-4H3
InChIKey
JOWVTPPVOSOXRQ-UHFFFAOYSA-N
Synonyms
438215-51-1
2amino4(5((2chloro4fluorophenoxy)methyl)24dimethylphenyl)77dimethyl5oxo5678tetrahydro4Hchromene3carbonitrile
2AMINO4(5((2CHLORO4FLUOROPHENOXY)METHYL)24DIMETHYLPHENYL)77DIMETHYL5OXO68DIHYDRO4HCHROMENE3CARBONITRILE
438215511
CC1=CC(=C(C=C1C2C(=C(OC3=C2C(=O)CC(C3)(C)C)N)C#N)COC4=C(C=C(C=C4)F)Cl)C
InChI=1SC27H26ClFN2O3c114715(2)18(816(14)1333226517(29)920(22)28)2419(1230)26(31)34231127(34)1021(32)25(23)24h5924H10111331H214H3
MFCD03312609
ZINC000000650585
ZINC000000650586

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Available files

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