Vitas-M small molecule compound
2-{[5-(3,4-difluorophenyl)-4-oxo-4,5-dihydro-1H-pyrazolo[3,4-d]pyrimidin-6-yl]sulfanyl}-N-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide
Catalog ID
STK985862
SMILES O=C(Nc1ccc2c(c1)OCCO2)CSc1nc2[nH]ncc2c(=O)n1c1ccc(c(c1)F)F
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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 C21H15F2N5O4S MW 471.44 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H15F2N5O4S/c22-14-3-2-12(8-15(14)23)28-20(30)13-9-24-27-19(13)26-21(28)33-10-18(29)25-11-1-4-16-17(7-11)32-6-5-31-16/h1-4,7-9H,5-6,10H2,(H,24,27)(H,25,29)InChIKey
IZKIXAJCLZIPHD-UHFFFAOYSA-NSynonyms
2((5(34difluorophenyl)4oxo1Hpyrazolo(34d)pyrimidin6yl)sulfanyl)N(23dihydro14benzodioxin6yl)acetamide
2((5(34difluorophenyl)4oxo45dihydro1Hpyrazolo(34d)pyrimidin6yl)sulfanyl)N(23dihydro14benzodioxin6yl)acetamide
C1COC2=C(O1)C=CC(=C2)NC(=O)CSC3=NC4=C(C=NN4)C(=O)N3C5=CC(=C(C=C5)F)F
InChI=1SC21H15F2N5O4Sc22143212(815(14)23)2820(30)139242719(13)2621(28)331018(29)2511141617(711)32653116h1479H5610H2(H2427)(H2529)
MFCD18182799
O=C(Nc1ccc2c(c1)OCCO2)CSc1nc2(nH)ncc2c(=O)n1c1ccc(c(c1)F)F
ZINC000051316786
ZINC51316786
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