Vitas-M small molecule compound
methyl (2Z)-2-(3-bromobenzylidene)-5-(2-fluorophenyl)-7-methyl-3-oxo-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
Catalog ID
STK981522
SMILES COC(=O)C1=C(C)N=c2n(C1c1ccccc1F)c(=O)/c(=C/c1cccc(c1)Br)/s2
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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 C22H16BrFN2O3S MW 487.35 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H16BrFN2O3S/c1-12-18(21(28)29-2)19(15-8-3-4-9-16(15)24)26-20(27)17(30-22(26)25-12)11-13-6-5-7-14(23)10-13/h3-11,19H,1-2H3/b17-11-InChIKey
ZRPFIDLBYYPRBM-BOPFTXTBSA-NSynonyms
CC1=C(C(N2C(=O)C(=CC3=CC(=CC=C3)Br)SC2=N1)C4=CC=CC=C4F)C(=O)OC
COC(=O)C1=C(C)N=c2n(C1c1ccccc1F)c(=O)c(=Cc1cccc(c1)Br)s2
InChI=1SC22H16BrFN2O3Sc11218(21(28)292)19(15834916(15)24)2620(27)17(3022(26)2512)111365714(23)1013h31119H12H3b1711
methyl(2Z)2((3bromophenyl)methylidene)5(2fluorophenyl)7methyl3oxo5H(13)thiazolo(32a)pyrimidine6carboxylate
methyl(2Z)2(3bromobenzylidene)5(2fluorophenyl)7methyl3oxo23dihydro5H(13)thiazolo(32a)pyrimidine6carboxylate
MFCD18181331
ZINC000001745156
ZINC000001745163
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