Vitas-M small molecule compound
diethyl 3-methyl-5-{[(Z)-(3-methyl-5-oxo-1-phenyl-1,5-dihydro-4H-pyrazol-4-ylidene)methyl]amino}thiophene-2,4-dicarboxylate
Catalog ID
STK898032
SMILES CCOC(=O)c1c(N/C=C\2/C(=NN(C2=O)c2ccccc2)C)sc(c1C)C(=O)OCC
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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 C22H23N3O5S MW 441.51 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H23N3O5S/c1-5-29-21(27)17-13(3)18(22(28)30-6-2)31-19(17)23-12-16-14(4)24-25(20(16)26)15-10-8-7-9-11-15/h7-12,23H,5-6H2,1-4H3/b16-12-InChIKey
DFQCVHUBOKWECB-VBKFSLOCSA-NSynonyms
CCOC(=O)C1=C(SC(=C1C)C(=O)OCC)NC=C2C(=NN(C2=O)C3=CC=CC=C3)C
CCOC(=O)c1c(NC=C2C(=NN(C2=O)c2ccccc2)C)sc(c1C)C(=O)OCC
DIETHYL3METHYL5(((3METHYL5OXO1PHENYL15DIHYDRO4HPYRAZOL4YLIDENE)METHYL)AMINO)24THIOPHENEDICARBOXYLATE
diethyl3methyl5(((Z)(3methyl5oxo1phenyl15dihydro4Hpyrazol4ylidene)methyl)amino)thiophene24dicarboxylate
diethyl3methyl5(((Z)(3methyl5oxo1phenylpyrazol4ylidene)methyl)amino)thiophene24dicarboxylate
InChI=1SC22H23N3O5Sc152921(27)1713(3)18(22(28)3062)3119(17)23121614(4)2425(20(16)26)15108791115h71223H56H214H3b1612
MFCD01019492
ZINC000100207837
ZINC100207837
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