Vitas-M small molecule compound
2-amino-4-{3-[(4-chlorophenoxy)methyl]-2,4,6-trimethylphenyl}-7,7-dimethyl-5-oxo-5,6,7,8-tetrahydro-4H-chromene-3-carbonitrile
Catalog ID
STL174684
SMILES N#CC1=C(N)OC2=C(C1c1c(C)cc(c(c1C)COc1ccc(cc1)Cl)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 C28H29ClN2O3 MW 477.00 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H29ClN2O3/c1-15-10-16(2)24(17(3)21(15)14-33-19-8-6-18(29)7-9-19)25-20(13-30)27(31)34-23-12-28(4,5)11-22(32)26(23)25/h6-10,25H,11-12,14,31H2,1-5H3InChIKey
IUXYNIIEYSUDMS-UHFFFAOYSA-NSynonyms
445024-52-22amino4(3((4chlorophenoxy)methyl)246trimethylphenyl)77dimethyl5oxo5678tetrahydro4Hchromene3carbonitrile
2AMINO4(3((4CHLOROPHENOXY)METHYL)246TRIMETHYLPHENYL)77DIMETHYL5OXO68DIHYDRO4HCHROMENE3CARBONITRILE
445024522
CC1=CC(=C(C(=C1C2C(=C(OC3=C2C(=O)CC(C3)(C)C)N)C#N)C)COC4=CC=C(C=C4)Cl)C
InChI=1SC28H29ClN2O3c1151016(2)24(17(3)21(15)1433198618(29)7919)2520(1330)27(31)34231228(45)1122(32)26(23)25h61025H11121431H215H3
MFCD02604579
ZINC000002726777
ZINC000002726778
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