Vitas-M small molecule compound
ethyl (2E)-2-[4-(benzyloxy)-3,5-dibromobenzylidene]-5-(4-chlorophenyl)-7-methyl-3-oxo-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
Catalog ID
STK673760
SMILES CCOC(=O)C1=C(C)N=c2n(C1c1ccc(cc1)Cl)c(=O)/c(=C\c1cc(Br)c(c(c1)Br)OCc1ccccc1)/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 C30H23Br2ClN2O4S MW 702.85 g/mol Purity >90% as per NMR
InChI
InChI=1S/C30H23Br2ClN2O4S/c1-3-38-29(37)25-17(2)34-30-35(26(25)20-9-11-21(33)12-10-20)28(36)24(40-30)15-19-13-22(31)27(23(32)14-19)39-16-18-7-5-4-6-8-18/h4-15,26H,3,16H2,1-2H3/b24-15+InChIKey
AEWKCYMAVBXMLV-BUVRLJJBSA-NSynonyms
CCOC(=O)C1=C(C)N=c2n(C1c1ccc(cc1)Cl)c(=O)c(=Cc1cc(Br)c(c(c1)Br)OCc1ccccc1)s2
CCOC(=O)C1=C(N=C2N(C1C3=CC=C(C=C3)Cl)C(=O)C(=CC4=CC(=C(C(=C4)Br)OCC5=CC=CC=C5)Br)S2)C
ethyl(2E)2(4(benzyloxy)35dibromobenzylidene)5(4chlorophenyl)7methyl3oxo23dihydro5H(13)thiazolo(32a)pyrimidine6carboxylate
ETHYL(2E)5(4CHLOROPHENYL)2((35DIBROMO4PHENYLMETHOXYPHENYL)METHYLIDENE)7METHYL3OXO5H(13)THIAZOLO(32A)PYRIMIDINE6CARBOXYLATE
ETHYL2(4(BENZYLOXY)35DIBROMOBENZYLIDENE)5(4CHLOROPHENYL)7METHYL3OXO23DIHYDRO5H(13)THIAZOLO(32A)PYRIMIDINE6CARBOXYLATE
InChI=1SC30H23Br2ClN2O4Sc133829(37)2517(2)343035(26(25)2091121(33)121020)28(36)24(4030)15191322(31)27(23(32)1419)3916187546818h41526H316H212H3b2415+
MFCD01155579
ZINC000008407360
ZINC000008407364
Check stock
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Check stock on Vitas-MAvailable files
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