Vitas-M small molecule compound
ethyl 6-amino-5-cyano-2-(2-ethoxy-2-oxoethyl)-4-[4-(methoxycarbonyl)phenyl]-4H-pyran-3-carboxylate
Catalog ID
STK095554
SMILES CCOC(=O)C1=C(CC(=O)OCC)OC(=C(C1c1ccc(cc1)C(=O)OC)C#N)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 C21H22N2O7 MW 414.41 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H22N2O7/c1-4-28-16(24)10-15-18(21(26)29-5-2)17(14(11-22)19(23)30-15)12-6-8-13(9-7-12)20(25)27-3/h6-9,17H,4-5,10,23H2,1-3H3InChIKey
WARPTWRTPHQBRG-UHFFFAOYSA-NSynonyms
371215-62-2371215622
CCOC(=O)C1=C(CC(=O)OCC)OC(=C(C1c1ccc(cc1)C(=O)OC)C#N)N
CCOC(=O)CC1=C(C(C(=C(O1)N)C#N)C2=CC=C(C=C2)C(=O)OC)C(=O)OCC
ETHYL(4S)6AMINO5CYANO2(2ETHOXY2OXOETHYL)4(4(METHOXYCARBONYL)PHENYL)4HPYRAN3CARBOXYLATE
ETHYL6AMINO5CYANO2(2ETHOXY2OXOETHYL)4(4(METHOXYCARBONYL)PHENYL)4HPYRAN3CARBOXYLATE
ETHYL6AMINO5CYANO2(2ETHOXY2OXOETHYL)4(4METHOXYCARBONYLPHENYL)4HPYRAN3CARBOXYLATE
InChI=1SC21H22N2O7c142816(24)101518(21(26)2952)17(14(1122)19(23)3015)126813(9712)20(25)273h6917H451023H213H3
MFCD01605405
STK095554
ZINC000002266429
ZINC000002266430
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