Vitas-M small molecule compound
methyl 6-amino-5-cyano-4-(4-hydroxy-3-methoxyphenyl)-2-(2-methoxy-2-oxoethyl)-4H-pyran-3-carboxylate
Catalog ID
STK089402
SMILES COC(=O)CC1=C(C(=O)OC)C(C(=C(O1)N)C#N)c1ccc(c(c1)OC)O
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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 C18H18N2O7 MW 374.35 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H18N2O7/c1-24-12-6-9(4-5-11(12)21)15-10(8-19)17(20)27-13(7-14(22)25-2)16(15)18(23)26-3/h4-6,15,21H,7,20H2,1-3H3InChIKey
IXKXMQXNGAKCNR-UHFFFAOYSA-NSynonyms
371941-97-8371941978
COC(=O)CC1=C(C(=O)OC)C(C(=C(O1)N)C#N)c1ccc(c(c1)OC)O
COC1=C(C=CC(=C1)C2C(=C(OC(=C2C(=O)OC)CC(=O)OC)N)C#N)O
InChI=1SC18H18N2O7c1241269(4511(12)21)1510(819)17(20)2713(714(22)252)16(15)18(23)263h461521H720H213H3
METHYL2(6AMINO5CYANO4(4HYDROXY3METHOXYPHENYL)3(METHOXYCARBONYL)4HPYRAN2YL)ACETATE
METHYL6AMINO5CYANO4(4HYDROXY3METHOXYPHENYL)2(2METHOXY2OXOETHYL)4HPYRAN3CARBOXYLATE
MFCD01856078
STK089402
ZINC000000808913
ZINC000000808914
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