Vitas-M small molecule compound
butyl 2-{[(E)-(3-methyl-5-oxo-1-phenyl-1,5-dihydro-4H-pyrazol-4-ylidene)methyl]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Catalog ID
STK898043
SMILES CCCCOC(=O)c1c(N/C=C/2\C(=NN(C2=O)c2ccccc2)C)sc2c1CCCC2
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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 C24H27N3O3S MW 437.56 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H27N3O3S/c1-3-4-14-30-24(29)21-18-12-8-9-13-20(18)31-22(21)25-15-19-16(2)26-27(23(19)28)17-10-6-5-7-11-17/h5-7,10-11,15,25H,3-4,8-9,12-14H2,1-2H3/b19-15+InChIKey
JZMNIMODSJNYRH-XDJHFCHBSA-NSynonyms
butyl2(((E)(3methyl5oxo1phenyl15dihydro4Hpyrazol4ylidene)methyl)amino)4567tetrahydro1benzothiophene3carboxylate
butyl2(((E)(3methyl5oxo1phenylpyrazol4ylidene)methyl)amino)4567tetrahydro1benzothiophene3carboxylate
CCCCOC(=O)C1=C(SC2=C1CCCC2)NC=C3C(=NN(C3=O)C4=CC=CC=C4)C
CCCCOC(=O)c1c(NC=C2C(=NN(C2=O)c2ccccc2)C)sc2c1CCCC2
InChI=1SC24H27N3O3Sc134143024(29)211812891320(18)3122(21)25151916(2)2627(23(19)28)17106571117h5710111525H34891214H212H3b1915+
MFCD18172802
ZINC000044827073
ZINC44827073
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