Vitas-M small molecule compound
2-amino-4-{4-[(4-fluorophenoxy)methyl]-2,3,5,6-tetramethylphenyl}-7,7-dimethyl-5-oxo-5,6,7,8-tetrahydro-4H-chromene-3-carbonitrile
Catalog ID
STK955857
SMILES N#CC1=C(N)OC2=C(C1c1c(C)c(C)c(c(c1C)C)COc1ccc(cc1)F)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 C29H31FN2O3 MW 474.58 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H31FN2O3/c1-15-17(3)25(18(4)16(2)22(15)14-34-20-9-7-19(30)8-10-20)26-21(13-31)28(32)35-24-12-29(5,6)11-23(33)27(24)26/h7-10,26H,11-12,14,32H2,1-6H3InChIKey
NIRVFHICRCVVHU-UHFFFAOYSA-NSynonyms
445024-70-42amino4(4((4fluorophenoxy)methyl)2356tetramethylphenyl)77dimethyl5oxo5678tetrahydro4Hchromene3carbonitrile
2amino4(4((4fluorophenoxy)methyl)2356tetramethylphenyl)77dimethyl5oxo68dihydro4Hchromene3carbonitrile
445024704
CC1=C(C(=C(C(=C1COC2=CC=C(C=C2)F)C)C)C3C(=C(OC4=C3C(=O)CC(C4)(C)C)N)C#N)C
InChI=1SC29H31FN2O3c11517(3)25(18(4)16(2)22(15)1434209719(30)81020)2621(1331)28(32)35241229(56)1123(33)27(24)26h71026H11121432H216H3
MFCD03073864
ZINC000000647912
ZINC000000647914
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