Vitas-M small molecule compound
2-{[5-(4-ethoxyphenyl)-4-oxo-4,5-dihydro-1H-pyrazolo[3,4-d]pyrimidin-6-yl]sulfanyl}-N-(4-fluorophenyl)-N-methylacetamide
Catalog ID
STK985679
SMILES CCOc1ccc(cc1)n1c(SCC(=O)N(c2ccc(cc2)F)C)nc2c(c1=O)cn[nH]2
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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 C22H20FN5O3S MW 453.50 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H20FN5O3S/c1-3-31-17-10-8-16(9-11-17)28-21(30)18-12-24-26-20(18)25-22(28)32-13-19(29)27(2)15-6-4-14(23)5-7-15/h4-12H,3,13H2,1-2H3,(H,24,26)InChIKey
RGDVYFIYPLADPY-UHFFFAOYSA-NSynonyms
2((5(4ethoxyphenyl)4oxo1Hpyrazolo(34d)pyrimidin6yl)sulfanyl)N(4fluorophenyl)Nmethylacetamide
2((5(4ethoxyphenyl)4oxo45dihydro1Hpyrazolo(34d)pyrimidin6yl)sulfanyl)N(4fluorophenyl)Nmethylacetamide
CCOC1=CC=C(C=C1)N2C(=O)C3=C(NN=C3)N=C2SCC(=O)N(C)C4=CC=C(C=C4)F
CCOc1ccc(cc1)n1c(SCC(=O)N(c2ccc(cc2)F)C)nc2c(c1=O)cn(nH)2
InChI=1SC22H20FN5O3Sc13311710816(91117)2821(30)1812242620(18)2522(28)321319(29)27(2)156414(23)5715h412H313H212H3(H2426)
MFCD18182638
ZINC000051316483
ZINC51316483
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