Vitas-M small molecule compound
2-{[(4-oxo-1-phenyl-1,4-dihydro-5H-pyrazolo[3,4-d]pyrimidin-5-yl)acetyl]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
Catalog ID
STL404497
SMILES O=C(Cn1cnc2c(c1=O)cnn2c1ccccc1)Nc1sc2c(c1C(=O)N)CCCC2
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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 C22H20N6O3S MW 448.51 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H20N6O3S/c23-19(30)18-14-8-4-5-9-16(14)32-21(18)26-17(29)11-27-12-24-20-15(22(27)31)10-25-28(20)13-6-2-1-3-7-13/h1-3,6-7,10,12H,4-5,8-9,11H2,(H2,23,30)(H,26,29)InChIKey
DXUZMPXGSRHKMU-UHFFFAOYSA-NSynonyms
938002-38-12(((4oxo1phenyl14dihydro5Hpyrazolo(34d)pyrimidin5yl)acetyl)amino)4567tetrahydro1benzothiophene3carboxamide
2((2(4oxo1phenylpyrazolo(34d)pyrimidin5yl)acetyl)amino)4567tetrahydro1benzothiophene3carboxamide
938002381
C1CCC2=C(C1)C(=C(S2)NC(=O)CN3C=NC4=C(C3=O)C=NN4C5=CC=CC=C5)C(=O)N
InChI=1SC22H20N6O3Sc2319(30)1814845916(14)3221(18)2617(29)112712242015(22(27)31)102528(20)136213713h13671012H458911H2(H22330)(H2629)
MFCD08558800
ZINC000020607331
ZINC20607331
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