Vitas-M small molecule compound
2-(4-bromo-1-methyl-1H-pyrazol-5-yl)-7-(difluoromethyl)-9-phenyl-2,3-dihydropyrido[3',2':4,5]thieno[3,2-d]pyrimidin-4(1H)-one
Catalog ID
STK302947
SMILES O=C1NC(Nc2c1sc1c2c(cc(n1)C(F)F)c1ccccc1)c1c(Br)cnn1C
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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 C20H14BrF2N5OS MW 490.33 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H14BrF2N5OS/c1-28-15(11(21)8-24-28)18-26-14-13-10(9-5-3-2-4-6-9)7-12(17(22)23)25-20(13)30-16(14)19(29)27-18/h2-8,17-18,26H,1H3,(H,27,29)InChIKey
MGEXJUBJTNIBNG-UHFFFAOYSA-NSynonyms
1005663-33-11005663331
2(4bromo1methyl1Hpyrazol5yl)7(difluoromethyl)9phenyl23dihydropyrido(3245)thieno(32d)pyrimidin4(1H)one
2(4bromo2methylpyrazol3yl)7(difluoromethyl)9phenyl23dihydro1Hpyrido(23)thieno(24d)pyrimidin4one
CN1C(=C(C=N1)Br)C2NC3=C(C(=O)N2)SC4=C3C(=CC(=N4)C(F)F)C5=CC=CC=C5
InChI=1SC20H14BrF2N5OSc12815(11(21)82428)1826141310(9532469)712(17(22)23)2520(13)3016(14)19(29)2718h28171826H1H3(H2729)
MFCD04048832
ZINC000013958185
ZINC000013958187
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