Vitas-M small molecule compound
methyl 4-({(E)-[1-(1,1-dioxidotetrahydrothiophen-3-yl)-3-methyl-5-oxo-1,5-dihydro-4H-pyrazol-4-ylidene]methyl}amino)benzoate
Catalog ID
STL010879
SMILES COC(=O)c1ccc(cc1)N/C=C/1\C(=NN(C1=O)C1CCS(=O)(=O)C1)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 C17H19N3O5S MW 377.42 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H19N3O5S/c1-11-15(9-18-13-5-3-12(4-6-13)17(22)25-2)16(21)20(19-11)14-7-8-26(23,24)10-14/h3-6,9,14,18H,7-8,10H2,1-2H3/b15-9+InChIKey
YKZFBEAQINQOPR-OQLLNIDSSA-NSynonyms
(E)methyl4(((1(11dioxidotetrahydrothiophen3yl)3methyl5oxo1Hpyrazol4(5H)ylidene)methyl)amino)benzoate
CC1=NN(C(=O)C1=CNC2=CC=C(C=C2)C(=O)OC)C3CCS(=O)(=O)C3
COC(=O)c1ccc(cc1)NC=C1C(=NN(C1=O)C1CCS(=O)(=O)C1)C
InChI=1SC17H19N3O5Sc11115(918135312(4613)17(22)252)16(21)20(1911)147826(2324)1014h3691418H7810H212H3b159+
methyl4(((E)(1(11dioxidotetrahydrothiophen3yl)3methyl5oxo15dihydro4Hpyrazol4ylidene)methyl)amino)benzoate
methyl4(((E)(1(11dioxothiolan3yl)3methyl5oxopyrazol4ylidene)methyl)amino)benzoate
MFCD09848537
ZINC000101488101
ZINC000101488104
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