Vitas-M small molecule compound
2-amino-4-{3-[(4-chloro-2-methylphenoxy)methyl]-2,5-dimethylphenyl}-7,7-dimethyl-5-oxo-5,6,7,8-tetrahydro-4H-chromene-3-carbonitrile
Catalog ID
STL176471
SMILES N#CC1=C(N)OC2=C(C1c1cc(C)cc(c1C)COc1ccc(cc1C)Cl)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/c1-15-8-18(14-33-23-7-6-19(29)10-16(23)2)17(3)20(9-15)25-21(13-30)27(31)34-24-12-28(4,5)11-22(32)26(24)25/h6-10,25H,11-12,14,31H2,1-5H3InChIKey
PXSSZSHYLQHAGN-UHFFFAOYSA-NSynonyms
676640-38-32amino4(3((4chloro2methylphenoxy)methyl)25dimethylphenyl)77dimethyl5oxo5678tetrahydro4Hchromene3carbonitrile
2AMINO4(3((4CHLORO2METHYLPHENOXY)METHYL)25DIMETHYLPHENYL)77DIMETHYL5OXO68DIHYDRO4HCHROMENE3CARBONITRILE
676640383
CC1=CC(=C(C(=C1)C2C(=C(OC3=C2C(=O)CC(C3)(C)C)N)C#N)C)COC4=C(C=C(C=C4)Cl)C
InChI=1SC28H29ClN2O3c115818(1433237619(29)1016(23)2)17(3)20(915)2521(1330)27(31)34241228(45)1122(32)26(24)25h61025H11121431H215H3
MFCD03883596
ZINC000002743733
ZINC000002743734
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