Vitas-M small molecule compound
ethyl 4-cyano-5-({(E)-[1-(3,4-dimethylphenyl)-3-methyl-5-oxo-1,5-dihydro-4H-pyrazol-4-ylidene]methyl}amino)thiophene-3-carboxylate
Catalog ID
STL295098
SMILES CCOC(=O)c1csc(c1C#N)N/C=C/1\C(=NN(C1=O)c1ccc(c(c1)C)C)C
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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 C21H20N4O3S MW 408.48 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H20N4O3S/c1-5-28-21(27)18-11-29-19(16(18)9-22)23-10-17-14(4)24-25(20(17)26)15-7-6-12(2)13(3)8-15/h6-8,10-11,23H,5H2,1-4H3/b17-10+InChIKey
XMMSYZDCFRQHMN-LICLKQGHSA-NSynonyms
CCOC(=O)C1=CSC(=C1C#N)NC=C2C(=NN(C2=O)C3=CC(=C(C=C3)C)C)C
CCOC(=O)c1csc(c1C#N)NC=C1C(=NN(C1=O)c1ccc(c(c1)C)C)C
ethyl4cyano5(((E)(1(34dimethylphenyl)3methyl5oxo15dihydro4Hpyrazol4ylidene)methyl)amino)thiophene3carboxylate
ethyl4cyano5(((E)(1(34dimethylphenyl)3methyl5oxopyrazol4ylidene)methyl)amino)thiophene3carboxylate
InChI=1SC21H20N4O3Sc152821(27)18112919(16(18)922)23101714(4)2425(20(17)26)157612(2)13(3)815h68101123H5H214H3b1710+
MFCD28032885
ZINC000101141491
ZINC101141491
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