Vitas-M small molecule compound
2-amino-4-{4-[(2-chlorobenzyl)oxy]-3-ethoxyphenyl}-5-oxo-5,6,7,8-tetrahydro-4H-chromene-3-carbonitrile
Catalog ID
STK011854
SMILES CCOc1cc(ccc1OCc1ccccc1Cl)C1C(=C(N)OC2=C1C(=O)CCC2)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 C25H23ClN2O4 MW 450.92 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H23ClN2O4/c1-2-30-22-12-15(10-11-20(22)31-14-16-6-3-4-7-18(16)26)23-17(13-27)25(28)32-21-9-5-8-19(29)24(21)23/h3-4,6-7,10-12,23H,2,5,8-9,14,28H2,1H3InChIKey
JFDCRWMLHFGWOS-UHFFFAOYSA-NSynonyms
395680-79-22amino4(4((2chlorobenzyl)oxy)3ethoxyphenyl)5oxo5678tetrahydro4Hchromene3carbonitrile
2amino4(4((2chlorophenyl)methoxy)3ethoxyphenyl)5oxo4678tetrahydrochromene3carbonitrile
395680792
CCOC1=C(C=CC(=C1)C2C(=C(OC3=C2C(=O)CCC3)N)C#N)OCC4=CC=CC=C4Cl
CCOc1cc(ccc1OCc1ccccc1Cl)C1C(=C(N)OC2=C1C(=O)CCC2)C#N
InChI=1SC25H23ClN2O4c1230221215(101120(22)311416634718(16)26)2317(1327)25(28)322195819(29)24(21)23h3467101223H25891428H21H3
MFCD01954121
STK011854
ZINC000001294279
ZINC000001294281
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