Vitas-M small molecule compound
methyl 6-amino-4-(2-bromophenyl)-5-cyano-2-(methoxymethyl)-4H-pyran-3-carboxylate
Catalog ID
STK755344
SMILES COCC1=C(C(=O)OC)C(C(=C(O1)N)C#N)c1ccccc1Br
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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 C16H15BrN2O4 MW 379.21 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H15BrN2O4/c1-21-8-12-14(16(20)22-2)13(10(7-18)15(19)23-12)9-5-3-4-6-11(9)17/h3-6,13H,8,19H2,1-2H3InChIKey
ATQGRPRLKJZKDA-UHFFFAOYSA-NSynonyms
COCC1=C(C(C(=C(O1)N)C#N)C2=CC=CC=C2Br)C(=O)OC
InChI=1SC16H15BrN2O4c12181214(16(20)222)13(10(718)15(19)2312)9534611(9)17h3613H819H212H3
methyl6amino4(2bromophenyl)5cyano2(methoxymethyl)4Hpyran3carboxylate
MFCD00827854
ZINC000004474170
ZINC000004474171
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