Vitas-M small molecule compound
methyl 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
STK898026
SMILES COC(=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 C20H19N3O4S MW 397.45 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H19N3O4S/c1-11-16(20(26)27-4)18(28-17(11)13(3)24)21-10-15-12(2)22-23(19(15)25)14-8-6-5-7-9-14/h5-10,21H,1-4H3/b15-10-InChIKey
DAYOUXPDQGCUMS-GDNBJRDFSA-NSynonyms
CC1=C(SC(=C1C(=O)OC)NC=C2C(=NN(C2=O)C3=CC=CC=C3)C)C(=O)C
COC(=O)c1c(NC=C2C(=NN(C2=O)c2ccccc2)C)sc(c1C)C(=O)C
InChI=1SC20H19N3O4Sc11116(20(26)274)18(2817(11)13(3)24)21101512(2)2223(19(15)25)148657914h51021H14H3b1510
methyl5acetyl4methyl2(((Z)(3methyl5oxo1phenyl15dihydro4Hpyrazol4ylidene)methyl)amino)thiophene3carboxylate
methyl5acetyl4methyl2(((Z)(3methyl5oxo1phenylpyrazol4ylidene)methyl)amino)thiophene3carboxylate
MFCD18172786
ZINC000044827028
ZINC44827028
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