Vitas-M small molecule compound
2-amino-4-{4-[(2-chlorobenzyl)oxy]-3-ethoxyphenyl}-7,7-dimethyl-5-oxo-5,6,7,8-tetrahydro-4H-chromene-3-carbonitrile
Catalog ID
STK743386
SMILES CCOc1cc(ccc1OCc1ccccc1Cl)C1C(=C(N)OC2=C1C(=O)CC(C2)(C)C)C#N
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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 C27H27ClN2O4 MW 478.98 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H27ClN2O4/c1-4-32-22-11-16(9-10-21(22)33-15-17-7-5-6-8-19(17)28)24-18(14-29)26(30)34-23-13-27(2,3)12-20(31)25(23)24/h5-11,24H,4,12-13,15,30H2,1-3H3InChIKey
DOKQEQKTNWZLBN-UHFFFAOYSA-NSynonyms
387834-23-32amino4(4((2chlorobenzyl)oxy)3ethoxyphenyl)77dimethyl5oxo5678tetrahydro4Hchromene3carbonitrile
2AMINO4(4((2CHLOROPHENYL)METHOXY)3ETHOXYPHENYL)77DIMETHYL5OXO68DIHYDRO4HCHROMENE3CARBONITRILE
387834233
CCOC1=C(C=CC(=C1)C2C(=C(OC3=C2C(=O)CC(C3)(C)C)N)C#N)OCC4=CC=CC=C4Cl
InChI=1SC27H27ClN2O4c1432221116(91021(22)331517756819(17)28)2418(1429)26(30)34231327(23)1220(31)25(23)24h51124H412131530H213H3
MFCD01949986
ZINC000008438228
ZINC000008438230
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