Vitas-M small molecule compound
ethyl 2-(cyclopropylamino)-4-{[1-(4-fluorophenyl)-4-oxo-1,4-dihydro-5H-pyrazolo[3,4-d]pyrimidin-5-yl]methyl}-1,3-thiazole-5-carboxylate
Catalog ID
STL398363
SMILES CCOC(=O)c1sc(nc1Cn1cnc2c(c1=O)cnn2c1ccc(cc1)F)NC1CC1
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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 C21H19FN6O3S MW 454.48 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H19FN6O3S/c1-2-31-20(30)17-16(26-21(32-17)25-13-5-6-13)10-27-11-23-18-15(19(27)29)9-24-28(18)14-7-3-12(22)4-8-14/h3-4,7-9,11,13H,2,5-6,10H2,1H3,(H,25,26)InChIKey
FGAFFAXORBXJJT-UHFFFAOYSA-NSynonyms
938018-02-1938018021
CCOC(=O)C1=C(N=C(S1)NC2CC2)CN3C=NC4=C(C3=O)C=NN4C5=CC=C(C=C5)F
ETHYL2(CYCLOPROPYLAMINO)4((1(4FLUOROPHENYL)4OXO14DIHYDRO5HPYRAZOLO(34D)PYRIMIDIN5YL)METHYL)13THIAZOLE5CARBOXYLATE
ethyl2(cyclopropylamino)4((1(4fluorophenyl)4oxopyrazolo(34d)pyrimidin5yl)methyl)13thiazole5carboxylate
InChI=1SC21H19FN6O3Sc123120(30)1716(2621(3217)25135613)102711231815(19(27)29)92428(18)147312(22)4814h34791113H25610H21H3(H2526)
MFCD08555883
ZINC000036614444
ZINC36614444
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