Vitas-M small molecule compound
ethyl 6-methyl-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
STK898045
SMILES CCOC(=O)c1c(N/C=C/2\C(=NN(C2=O)c2ccccc2)C)sc2c1CCC(C2)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 C23H25N3O3S MW 423.54 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H25N3O3S/c1-4-29-23(28)20-17-11-10-14(2)12-19(17)30-21(20)24-13-18-15(3)25-26(22(18)27)16-8-6-5-7-9-16/h5-9,13-14,24H,4,10-12H2,1-3H3/b18-13+InChIKey
XGGJLPOBLGRIPP-QGOAFFKASA-NSynonyms
CCOC(=O)C1=C(SC2=C1CCC(C2)C)NC=C3C(=NN(C3=O)C4=CC=CC=C4)C
CCOC(=O)c1c(NC=C2C(=NN(C2=O)c2ccccc2)C)sc2c1CCC(C2)C
ethyl6methyl2(((E)(3methyl5oxo1phenyl15dihydro4Hpyrazol4ylidene)methyl)amino)4567tetrahydro1benzothiophene3carboxylate
ethyl6methyl2(((E)(3methyl5oxo1phenylpyrazol4ylidene)methyl)amino)4567tetrahydro1benzothiophene3carboxylate
InChI=1SC23H25N3O3Sc142923(28)2017111014(2)1219(17)3021(20)24131815(3)2526(22(18)27)168657916h59131424H41012H213H3b1813+
MFCD18172804
ZINC000044827082
ZINC000044827085
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