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-methyl-N-(3-methylphenyl)acetamide
Catalog ID
STK985859
SMILES Cc1cccc(c1)N(C(=O)CSc1nc2[nH]ncc2c(=O)n1c1ccc(c(c1)F)F)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 C21H17F2N5O2S MW 441.46 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H17F2N5O2S/c1-12-4-3-5-13(8-12)27(2)18(29)11-31-21-25-19-15(10-24-26-19)20(30)28(21)14-6-7-16(22)17(23)9-14/h3-10H,11H2,1-2H3,(H,24,26)InChIKey
AXHAKOWORFQLDV-UHFFFAOYSA-NSynonyms
2((5(34difluorophenyl)4oxo1Hpyrazolo(34d)pyrimidin6yl)sulfanyl)NmethylN(3methylphenyl)acetamide
2((5(34difluorophenyl)4oxo45dihydro1Hpyrazolo(34d)pyrimidin6yl)sulfanyl)NmethylN(3methylphenyl)acetamide
CC1=CC(=CC=C1)N(C)C(=O)CSC2=NC3=C(C=NN3)C(=O)N2C4=CC(=C(C=C4)F)F
Cc1cccc(c1)N(C(=O)CSc1nc2(nH)ncc2c(=O)n1c1ccc(c(c1)F)F)C
InChI=1SC21H17F2N5O2Sc11243513(812)27(2)18(29)113121251915(10242619)20(30)28(21)146716(22)17(23)914h310H11H212H3(H2426)
MFCD18182796
ZINC000051316782
ZINC51316782
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