Vitas-M small molecule compound
methyl (2E)-2-(3-bromobenzylidene)-5-(4-chlorophenyl)-7-methyl-3-oxo-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
Catalog ID
STK534633
SMILES COC(=O)C1=C(C)N=c2n(C1c1ccc(cc1)Cl)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 C22H16BrClN2O3S MW 503.80 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H16BrClN2O3S/c1-12-18(21(28)29-2)19(14-6-8-16(24)9-7-14)26-20(27)17(30-22(26)25-12)11-13-4-3-5-15(23)10-13/h3-11,19H,1-2H3/b17-11+InChIKey
IFHZAQFFGKULHX-GZTJUZNOSA-NSynonyms
300721-81-7(E)methyl2(3bromobenzylidene)5(4chlorophenyl)7methyl3oxo35dihydro2Hthiazolo(32a)pyrimidine6carboxylate
300721817
CC1=C(C(N2C(=O)C(=CC3=CC(=CC=C3)Br)SC2=N1)C4=CC=C(C=C4)Cl)C(=O)OC
COC(=O)C1=C(C)N=c2n(C1c1ccc(cc1)Cl)c(=O)c(=Cc1cccc(c1)Br)s2
InChI=1SC22H16BrClN2O3Sc11218(21(28)292)19(146816(24)9714)2620(27)17(3022(26)2512)111343515(23)1013h31119H12H3b1711+
methyl(2E)2((3bromophenyl)methylidene)5(4chlorophenyl)7methyl3oxo5H(13)thiazolo(32a)pyrimidine6carboxylate
methyl(2E)2(3bromobenzylidene)5(4chlorophenyl)7methyl3oxo23dihydro5H(13)thiazolo(32a)pyrimidine6carboxylate
MFCD01945813
ZINC000013766127
ZINC000013766130
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