Vitas-M small molecule compound
2-amino-4-[4-(benzyloxy)-2-bromo-5-ethoxyphenyl]-5-oxo-5,6,7,8-tetrahydro-4H-chromene-3-carbonitrile
Catalog ID
STL419275
SMILES CCOc1cc(c(cc1OCc1ccccc1)Br)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 C25H23BrN2O4 MW 495.37 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H23BrN2O4/c1-2-30-21-11-16(18(26)12-22(21)31-14-15-7-4-3-5-8-15)23-17(13-27)25(28)32-20-10-6-9-19(29)24(20)23/h3-5,7-8,11-12,23H,2,6,9-10,14,28H2,1H3InChIKey
JWOIKECWELOYEQ-UHFFFAOYSA-NSynonyms
2amino4(2bromo5ethoxy4phenylmethoxyphenyl)5oxo4678tetrahydrochromene3carbonitrile
2amino4(4(benzyloxy)2bromo5ethoxyphenyl)5oxo5678tetrahydro4Hchromene3carbonitrile
CCOC1=C(C=C(C(=C1)C2C(=C(OC3=C2C(=O)CCC3)N)C#N)Br)OCC4=CC=CC=C4
InChI=1SC25H23BrN2O4c1230211116(18(26)1222(21)3114157435815)2317(1327)25(28)3220106919(29)24(20)23h3578111223H269101428H21H3
MFCD04091245
ZINC000000661056
ZINC000000661058
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