Vitas-M small molecule compound
ethyl 6-amino-4-[4-(2-amino-2-oxoethoxy)-3-methoxyphenyl]-5-cyano-2-(2-ethoxy-2-oxoethyl)-4H-pyran-3-carboxylate
Catalog ID
STK073260
SMILES CCOC(=O)C1=C(CC(=O)OCC)OC(=C(C1c1ccc(c(c1)OC)OCC(=O)N)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 C22H25N3O8 MW 459.46 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H25N3O8/c1-4-30-18(27)9-16-20(22(28)31-5-2)19(13(10-23)21(25)33-16)12-6-7-14(15(8-12)29-3)32-11-17(24)26/h6-8,19H,4-5,9,11,25H2,1-3H3,(H2,24,26)InChIKey
GIEXUXHHHFDRJZ-UHFFFAOYSA-NSynonyms
487007-03-4487007034
CCOC(=O)C1=C(CC(=O)OCC)OC(=C(C1c1ccc(c(c1)OC)OCC(=O)N)C#N)N
CCOC(=O)CC1=C(C(C(=C(O1)N)C#N)C2=CC(=C(C=C2)OCC(=O)N)OC)C(=O)OCC
ETHYL6AMINO4(4(2AMINO2OXOETHOXY)3METHOXYPHENYL)5CYANO2(2ETHOXY2OXOETHYL)4HPYRAN3CARBOXYLATE
InChI=1SC22H25N3O8c143018(27)91620(22(28)3152)19(13(1023)21(25)3316)126714(15(812)293)321117(24)26h6819H4591125H213H3(H22426)
MFCD01853972
STK073260
ZINC000002267177
ZINC000002267178
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