Vitas-M small molecule compound
methyl 4-cyano-5-[(2,3-dihydro-1,4-benzodioxin-6-ylcarbonyl)amino]-3-methylthiophene-2-carboxylate
Catalog ID
STK355724
SMILES COC(=O)c1sc(c(c1C)C#N)NC(=O)c1ccc2c(c1)OCCO2
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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 C17H14N2O5S MW 358.37 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H14N2O5S/c1-9-11(8-18)16(25-14(9)17(21)22-2)19-15(20)10-3-4-12-13(7-10)24-6-5-23-12/h3-4,7H,5-6H2,1-2H3,(H,19,20)InChIKey
XOXKFOCXSQMHHE-UHFFFAOYSA-NSynonyms
CC1=C(SC(=C1C#N)NC(=O)C2=CC3=C(C=C2)OCCO3)C(=O)OC
InChI=1SC17H14N2O5Sc1911(818)16(2514(9)17(21)222)1915(20)10341213(710)24652312h347H56H212H3(H1920)
METHYL4CYANO5((23DIHYDRO14BENZODIOXIN6YLCARBONYL)AMINO)3METHYL2THIOPHENECARBOXYLATE
methyl4cyano5((23dihydro14benzodioxin6ylcarbonyl)amino)3methylthiophene2carboxylate
METHYL4CYANO5(23DIHYDRO14BENZODIOXINE6CARBONYLAMINO)3METHYLTHIOPHENE2CARBOXYLATE
METHYL4CYANO5(23DIHYDROBENZO(B)(14)DIOXINE6CARBOXAMIDO)3METHYLTHIOPHENE2CARBOXYLATE
MFCD03246798
ZINC000004537733
ZINC04537733
ZINC4537733
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