Vitas-M small molecule compound
ethyl 2-({(E)-[1-(1,1-dioxidotetrahydrothiophen-3-yl)-3-methyl-5-oxo-1,5-dihydro-4H-pyrazol-4-ylidene]methyl}amino)benzoate
Catalog ID
STK628229
SMILES CCOC(=O)c1ccccc1N/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 C18H21N3O5S MW 391.45 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H21N3O5S/c1-3-26-18(23)14-6-4-5-7-16(14)19-10-15-12(2)20-21(17(15)22)13-8-9-27(24,25)11-13/h4-7,10,13,19H,3,8-9,11H2,1-2H3/b15-10+InChIKey
KKRKZDNMRZXSOF-XNTDXEJSSA-NSynonyms
(E)ethyl2(((1(11dioxidotetrahydrothiophen3yl)3methyl5oxo1Hpyrazol4(5H)ylidene)methyl)amino)benzoate
CCOC(=O)C1=CC=CC=C1NC=C2C(=NN(C2=O)C3CCS(=O)(=O)C3)C
CCOC(=O)c1ccccc1NC=C1C(=NN(C1=O)C1CCS(=O)(=O)C1)C
ethyl2(((E)(1(11dioxidotetrahydrothiophen3yl)3methyl5oxo15dihydro4Hpyrazol4ylidene)methyl)amino)benzoate
ethyl2(((E)(1(11dioxothiolan3yl)3methyl5oxopyrazol4ylidene)methyl)amino)benzoate
InChI=1SC18H21N3O5Sc132618(23)14645716(14)19101512(2)2021(17(15)22)138927(2425)1113h47101319H38911H212H3b1510+
MFCD09792336
ZINC000009422353
ZINC000009422354
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