Vitas-M small molecule compound
4-[2-amino-3-cyano-7-(furan-2-yl)-5-oxo-5,6,7,8-tetrahydro-4H-chromen-4-yl]-2-ethoxyphenyl furan-2-carboxylate
Catalog ID
STK765482
SMILES CCOc1cc(ccc1OC(=O)c1ccco1)C1C(=C(N)OC2=C1C(=O)CC(C2)c1ccco1)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 C27H22N2O7 MW 486.48 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H22N2O7/c1-2-32-22-12-15(7-8-20(22)36-27(31)21-6-4-10-34-21)24-17(14-28)26(29)35-23-13-16(11-18(30)25(23)24)19-5-3-9-33-19/h3-10,12,16,24H,2,11,13,29H2,1H3InChIKey
XSYHQCCOQMAXBK-UHFFFAOYSA-NSynonyms
(4(2amino3cyano7(furan2yl)5oxo4678tetrahydrochromen4yl)2ethoxyphenyl)furan2carboxylate
4(2amino3cyano7(furan2yl)5oxo5678tetrahydro4Hchromen4yl)2ethoxyphenylfuran2carboxylate
CCOC1=C(C=CC(=C1)C2C(=C(OC3=C2C(=O)CC(C3)C4=CC=CO4)N)C#N)OC(=O)C5=CC=CO5
InChI=1SC27H22N2O7c1232221215(7820(22)3627(31)2164103421)2417(1428)26(29)35231316(1118(30)25(23)24)195393319h310121624H2111329H21H3
MFCD03035629
ZINC000000718370
ZINC000003672600
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