Vitas-M small molecule compound
2-amino-4-{5-[(4-chlorophenoxy)methyl]-2,4-dimethylphenyl}-7,7-dimethyl-5-oxo-5,6,7,8-tetrahydro-4H-chromene-3-carbonitrile
Catalog ID
STL174686
SMILES N#CC1=C(N)OC2=C(C1c1cc(COc3ccc(cc3)Cl)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 C27H27ClN2O3 MW 462.98 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H27ClN2O3/c1-15-9-16(2)20(10-17(15)14-32-19-7-5-18(28)6-8-19)24-21(13-29)26(30)33-23-12-27(3,4)11-22(31)25(23)24/h5-10,24H,11-12,14,30H2,1-4H3InChIKey
XSCUTEYQQOSMGU-UHFFFAOYSA-NSynonyms
445024-57-72amino4(5((4chlorophenoxy)methyl)24dimethylphenyl)77dimethyl5oxo5678tetrahydro4Hchromene3carbonitrile
2AMINO4(5((4CHLOROPHENOXY)METHYL)24DIMETHYLPHENYL)77DIMETHYL5OXO68DIHYDRO4HCHROMENE3CARBONITRILE
445024577
CC1=CC(=C(C=C1C2C(=C(OC3=C2C(=O)CC(C3)(C)C)N)C#N)COC4=CC=C(C=C4)Cl)C
InChI=1SC27H27ClN2O3c115916(2)20(1017(15)1432197518(28)6819)2421(1329)26(30)33231227(34)1122(31)25(23)24h51024H11121430H214H3
MFCD02605275
ZINC000000647865
ZINC000000647866
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