Vitas-M small molecule compound
methyl 6-amino-5-cyano-2-methyl-4-[4-(methylsulfanyl)phenyl]-4H-pyran-3-carboxylate
Catalog ID
STK749164
SMILES COC(=O)C1=C(C)OC(=C(C1c1ccc(cc1)SC)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 C16H16N2O3S MW 316.38 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H16N2O3S/c1-9-13(16(19)20-2)14(12(8-17)15(18)21-9)10-4-6-11(22-3)7-5-10/h4-7,14H,18H2,1-3H3InChIKey
QCUZDLBWSWXIKI-UHFFFAOYSA-NSynonyms
339583-67-4339583674
6AMINO5CYANO2METHYL4(4METHYLSULFANYLPHENYL)4HPYRAN3CARBOXYLICACID
CC1=C(C(C(=C(O1)N)C#N)C2=CC=C(C=C2)SC)C(=O)OC
InChI=1SC16H16N2O3Sc1913(16(19)202)14(12(817)15(18)219)104611(223)7510h4714H18H213H3
methyl6amino5cyano2methyl4(4(methylsulfanyl)phenyl)4Hpyran3carboxylate
methyl6amino5cyano2methyl4(4(methylthio)phenyl)4Hpyran3carboxylate
METHYL6AMINO5CYANO2METHYL4(4METHYLSULFANYLPHENYL)4HPYRAN3CARBOXYLATE
METHYL6AMINO5CYANO2METHYL4(4METHYLTHIOPHENYL)4HPYRAN3CARBOXYLATE
MFCD00744603
ZINC000000059400
ZINC000000059401
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