Vitas-M small molecule compound
ethyl 5-acetyl-4-methyl-2-{[(Z)-(3-methyl-5-oxo-1-phenyl-1,5-dihydro-4H-pyrazol-4-ylidene)methyl]amino}thiophene-3-carboxylate
Catalog ID
STK898027
SMILES CCOC(=O)c1c(N/C=C\2/C(=NN(C2=O)c2ccccc2)C)sc(c1C)C(=O)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 C21H21N3O4S MW 411.48 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H21N3O4S/c1-5-28-21(27)17-12(2)18(14(4)25)29-19(17)22-11-16-13(3)23-24(20(16)26)15-9-7-6-8-10-15/h6-11,22H,5H2,1-4H3/b16-11-InChIKey
HTLBXHBCPAKNTG-WJDWOHSUSA-NSynonyms
CCOC(=O)C1=C(SC(=C1C)C(=O)C)NC=C2C(=NN(C2=O)C3=CC=CC=C3)C
CCOC(=O)c1c(NC=C2C(=NN(C2=O)c2ccccc2)C)sc(c1C)C(=O)C
ethyl5acetyl4methyl2(((Z)(3methyl5oxo1phenyl15dihydro4Hpyrazol4ylidene)methyl)amino)thiophene3carboxylate
ethyl5acetyl4methyl2(((Z)(3methyl5oxo1phenylpyrazol4ylidene)methyl)amino)thiophene3carboxylate
InChI=1SC21H21N3O4Sc152821(27)1712(2)18(14(4)25)2919(17)22111613(3)2324(20(16)26)1597681015h61122H5H214H3b1611
MFCD18172787
ZINC000044827031
ZINC44827031
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