Vitas-M small molecule compound
ethyl 4-{[1-(4-fluorophenyl)-4-oxo-1,4-dihydro-5H-pyrazolo[3,4-d]pyrimidin-5-yl]methyl}-2-(prop-2-en-1-ylamino)-1,3-thiazole-5-carboxylate
Catalog ID
STL396234
SMILES C=CCNc1sc(c(n1)Cn1cnc2c(c1=O)cnn2c1ccc(cc1)F)C(=O)OCC
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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/c1-3-9-23-21-26-16(17(32-21)20(30)31-4-2)11-27-12-24-18-15(19(27)29)10-25-28(18)14-7-5-13(22)6-8-14/h3,5-8,10,12H,1,4,9,11H2,2H3,(H,23,26)InChIKey
ZCVXPWABIPQGEF-UHFFFAOYSA-NSynonyms
938019-78-4938019784
CCOC(=O)C1=C(N=C(S1)NCC=C)CN2C=NC3=C(C2=O)C=NN3C4=CC=C(C=C4)F
ETHYL4((1(4FLUOROPHENYL)4OXO14DIHYDRO5HPYRAZOLO(34D)PYRIMIDIN5YL)METHYL)2(PROP2EN1YLAMINO)13THIAZOLE5CARBOXYLATE
ethyl4((1(4fluorophenyl)4oxopyrazolo(34d)pyrimidin5yl)methyl)2(prop2enylamino)13thiazole5carboxylate
InChI=1SC21H19FN6O3Sc13923212616(17(3221)20(30)3142)112712241815(19(27)29)102528(18)147513(22)6814h3581012H14911H22H3(H2326)
MFCD08556128
ZINC000036614683
ZINC36614683
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