Vitas-M small molecule compound
methyl (2E)-2-{[5-(4-bromophenyl)furan-2-yl]methylidene}-7-methyl-3-oxo-5-(thiophen-2-yl)-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
Catalog ID
STK797901
SMILES COC(=O)C1=C(C)N=c2n(C1c1cccs1)c(=O)/c(=C\c1ccc(o1)c1ccc(cc1)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 C24H17BrN2O4S2 MW 541.45 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H17BrN2O4S2/c1-13-20(23(29)30-2)21(18-4-3-11-32-18)27-22(28)19(33-24(27)26-13)12-16-9-10-17(31-16)14-5-7-15(25)8-6-14/h3-12,21H,1-2H3/b19-12+InChIKey
XTDUFLQZXLJBKF-XDHOZWIPSA-NSynonyms
CC1=C(C(N2C(=O)C(=CC3=CC=C(O3)C4=CC=C(C=C4)Br)SC2=N1)C5=CC=CS5)C(=O)OC
COC(=O)C1=C(C)N=c2n(C1c1cccs1)c(=O)c(=Cc1ccc(o1)c1ccc(cc1)Br)s2
InChI=1SC24H17BrN2O4S2c11320(23(29)302)21(1843113218)2722(28)19(3324(27)2613)121691017(3116)145715(25)8614h31221H12H3b1912+
methyl(2E)2((5(4bromophenyl)furan2yl)methylidene)7methyl3oxo5(thiophen2yl)23dihydro5H(13)thiazolo(32a)pyrimidine6carboxylate
methyl(2E)2((5(4bromophenyl)furan2yl)methylidene)7methyl3oxo5thiophen2yl5H(13)thiazolo(32a)pyrimidine6carboxylate
MFCD03461807
ZINC000097946143
ZINC000097946144
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