Vitas-M small molecule compound
ethyl 4-cyano-5-{[(4,6-dioxo-2-thioxotetrahydropyrimidin-5(2H)-ylidene)methyl]amino}-3-methylthiophene-2-carboxylate
Catalog ID
STL295101
SMILES CCOC(=O)c1sc(c(c1C)C#N)NC=C1C(=O)NC(=S)NC1=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 C14H12N4O4S2 MW 364.41 g/mol Purity >90% as per NMR
InChI
InChI=1S/C14H12N4O4S2/c1-3-22-13(21)9-6(2)7(4-15)12(24-9)16-5-8-10(19)17-14(23)18-11(8)20/h5,16H,3H2,1-2H3,(H2,17,18,19,20,23)InChIKey
UVZYNUHWJBMHQR-UHFFFAOYSA-NSynonyms
CCOC(=O)C1=C(C(=C(S1)NC=C2C(=O)NC(=S)NC2=O)C#N)C
ethyl4cyano5(((46dioxo2thioxotetrahydropyrimidin5(2H)ylidene)methyl)amino)3methylthiophene2carboxylate
ETHYL4CYANO5((46DIOXO2SULFANYLIDENE13DIAZINAN5YLIDENE)METHYLAMINO)3METHYLTHIOPHENE2CARBOXYLATE
ETHYL5(((46DIOXO2THIOXO(13DIHYDROPYRIMIDIN5YLIDENE))METHYL)AMINO)4CYANO3METHYLTHIOPHENE2CARBOXYLATE
InChI=1SC14H12N4O4S2c132213(21)96(2)7(415)12(249)165810(19)1714(23)1811(8)20h516H3H212H3(H21718192023)
MFCD00697273
ZINC000006294455
ZINC06294455
ZINC6294455
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