Vitas-M small molecule compound
ethyl 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
STK977943
SMILES CCOC(=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 C22H23N3O3S MW 409.51 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H23N3O3S/c1-3-28-22(27)19-16-11-7-8-12-18(16)29-20(19)23-13-17-14(2)24-25(21(17)26)15-9-5-4-6-10-15/h4-6,9-10,13,23H,3,7-8,11-12H2,1-2H3/b17-13+InChIKey
SZVZGMCVCFVERM-GHRIWEEISA-NSynonyms
CCOC(=O)C1=C(SC2=C1CCCC2)NC=C3C(=NN(C3=O)C4=CC=CC=C4)C
CCOC(=O)c1c(NC=C2C(=NN(C2=O)c2ccccc2)C)sc2c1CCCC2
ethyl2(((E)(3methyl5oxo1phenyl15dihydro4Hpyrazol4ylidene)methyl)amino)4567tetrahydro1benzothiophene3carboxylate
ethyl2(((E)(3methyl5oxo1phenylpyrazol4ylidene)methyl)amino)4567tetrahydro1benzothiophene3carboxylate
InChI=1SC22H23N3O3Sc132822(27)191611781218(16)2920(19)23131714(2)2425(21(17)26)1595461015h469101323H3781112H212H3b1713+
MFCD01097708
ZINC000100922619
ZINC100922619
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