Vitas-M small molecule compound
2-amino-4-{4-[(4-chlorobenzyl)oxy]-3-ethoxyphenyl}-5-oxo-5,6,7,8-tetrahydro-4H-chromene-3-carbonitrile
Catalog ID
STK870590
SMILES CCOc1cc(ccc1OCc1ccc(cc1)Cl)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/c1-2-30-22-12-16(8-11-20(22)31-14-15-6-9-17(26)10-7-15)23-18(13-27)25(28)32-21-5-3-4-19(29)24(21)23/h6-12,23H,2-5,14,28H2,1H3InChIKey
SXBGIDFSYQYWNC-UHFFFAOYSA-NSynonyms
488088-45-52amino4(4((4chlorobenzyl)oxy)3ethoxyphenyl)5oxo5678tetrahydro4Hchromene3carbonitrile
2amino4(4((4chlorophenyl)methoxy)3ethoxyphenyl)5oxo4678tetrahydrochromene3carbonitrile
488088455
CCOC1=C(C=CC(=C1)C2C(=C(OC3=C2C(=O)CCC3)N)C#N)OCC4=CC=C(C=C4)Cl
InChI=1SC25H23ClN2O4c1230221216(81120(22)3114156917(26)10715)2318(1327)25(28)322153419(29)24(21)23h61223H251428H21H3
MFCD03287810
ZINC000001144910
ZINC000001144912
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