Vitas-M small molecule compound
methyl 5-cyano-2-hydroxy-4-(2-methylphenyl)-6-(methylsulfanyl)-3,4-dihydropyridine-3-carboxylate
Catalog ID
STK845980
SMILES COC(=O)C1C(=NC(=C(C1c1ccccc1C)C#N)SC)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 C16H16N2O3S MW 316.38 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H16N2O3S/c1-9-6-4-5-7-10(9)12-11(8-17)15(22-3)18-14(19)13(12)16(20)21-2/h4-7,12-13H,1-3H3,(H,18,19)InChIKey
MPJDCAKJXNMMEA-UHFFFAOYSA-NSynonyms
CC1=CC=CC=C1C2C(C(=O)NC(=C2C#N)SC)C(=O)OC
InChI=1SC16H16N2O3Sc19645710(9)1211(817)15(223)1814(19)13(12)16(20)212h471213H13H3(H1819)
methyl5cyano2hydroxy4(2methylphenyl)6(methylsulfanyl)34dihydropyridine3carboxylate
MFCD03795566
ZINC000001295088
ZINC000001295093
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