Vitas-M small molecule compound
2-methoxyethyl (2Z)-2-(3-bromobenzylidene)-5-{4-[(furan-2-ylcarbonyl)oxy]phenyl}-7-methyl-3-oxo-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
Catalog ID
STK702830
SMILES COCCOC(=O)C1=C(C)N=c2n(C1c1ccc(cc1)OC(=O)c1ccco1)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 C29H23BrN2O7S MW 623.48 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H23BrN2O7S/c1-17-24(28(35)38-14-13-36-2)25(19-8-10-21(11-9-19)39-27(34)22-7-4-12-37-22)32-26(33)23(40-29(32)31-17)16-18-5-3-6-20(30)15-18/h3-12,15-16,25H,13-14H2,1-2H3/b23-16-InChIKey
CAOODUHAMWSFCN-KQWNVCNZSA-NSynonyms
(E)2methoxyethyl2(3bromobenzylidene)5(4((furan2carbonyl)oxy)phenyl)7methyl3oxo35dihydro2Hthiazolo(32a)pyrimidine6carboxylate
2METHOXYETHYL(2Z)2((3BROMOPHENYL)METHYLIDENE)5(4(FURAN2CARBONYLOXY)PHENYL)7METHYL3OXO5H(13)THIAZOLO(32A)PYRIMIDINE6CARBOXYLATE
2methoxyethyl(2Z)2(3bromobenzylidene)5(4((furan2ylcarbonyl)oxy)phenyl)7methyl3oxo23dihydro5H(13)thiazolo(32a)pyrimidine6carboxylate
CC1=C(C(N2C(=O)C(=CC3=CC(=CC=C3)Br)SC2=N1)C4=CC=C(C=C4)OC(=O)C5=CC=CO5)C(=O)OCCOC
COCCOC(=O)C1=C(C)N=c2n(C1c1ccc(cc1)OC(=O)c1ccco1)c(=O)c(=Cc1cccc(c1)Br)s2
InChI=1SC29H23BrN2O7Sc11724(28(35)381413362)25(1981021(11919)3927(34)2274123722)3226(33)23(4029(32)3117)161853620(30)1518h312151625H1314H212H3b2316
MFCD03226044
ZINC000097946113
ZINC000097946114
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