Vitas-M small molecule compound
methyl 4-cyano-5-{[(2E)-3-(4-methoxyphenyl)prop-2-enoyl]amino}-3-methylthiophene-2-carboxylate
Catalog ID
STK412833
SMILES COc1ccc(cc1)/C=C/C(=O)Nc1sc(c(c1C#N)C)C(=O)OC
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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 C18H16N2O4S MW 356.40 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H16N2O4S/c1-11-14(10-19)17(25-16(11)18(22)24-3)20-15(21)9-6-12-4-7-13(23-2)8-5-12/h4-9H,1-3H3,(H,20,21)/b9-6+InChIKey
QHCSRWSFLIQFDR-RMKNXTFCSA-NSynonyms
CC1=C(SC(=C1C#N)NC(=O)C=CC2=CC=C(C=C2)OC)C(=O)OC
COc1ccc(cc1)C=CC(=O)Nc1sc(c(c1C#N)C)C(=O)OC
InChI=1SC18H16N2O4Sc11114(1019)17(2516(11)18(22)243)2015(21)96124713(232)8512h49H13H3(H2021)b96+
methyl4cyano5(((2E)3(4methoxyphenyl)prop2enoyl)amino)3methylthiophene2carboxylate
METHYL4CYANO5(((E)3(4METHOXYPHENYL)PROP2ENOYL)AMINO)3METHYLTHIOPHENE2CARBOXYLATE
METHYL5((2E)3(4METHOXYPHENYL)PROP2ENOYLAMINO)4CYANO3METHYLTHIOPHENE2CARBOXYLATE
MFCD01338320
ZINC000005531410
ZINC05531410
ZINC5531410
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