Vitas-M small molecule compound
ethyl (2E)-5-(4-bromophenyl)-7-methyl-2-[4-(methylsulfanyl)benzylidene]-3-oxo-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
Catalog ID
STL407008
SMILES CCOC(=O)C1=C(C)N=c2n(C1c1ccc(cc1)Br)c(=O)/c(=C\c1ccc(cc1)SC)/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 C24H21BrN2O3S2 MW 529.48 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H21BrN2O3S2/c1-4-30-23(29)20-14(2)26-24-27(21(20)16-7-9-17(25)10-8-16)22(28)19(32-24)13-15-5-11-18(31-3)12-6-15/h5-13,21H,4H2,1-3H3/b19-13+InChIKey
XNNZFMUFFFIUPJ-CPNJWEJPSA-NSynonyms
CCOC(=O)C1=C(C)N=c2n(C1c1ccc(cc1)Br)c(=O)c(=Cc1ccc(cc1)SC)s2
CCOC(=O)C1=C(N=C2N(C1C3=CC=C(C=C3)Br)C(=O)C(=CC4=CC=C(C=C4)SC)S2)C
ethyl(2E)5(4bromophenyl)7methyl2((4methylsulfanylphenyl)methylidene)3oxo5H(13)thiazolo(32a)pyrimidine6carboxylate
ethyl(2E)5(4bromophenyl)7methyl2(4(methylsulfanyl)benzylidene)3oxo23dihydro5H(13)thiazolo(32a)pyrimidine6carboxylate
InChI=1SC24H21BrN2O3S2c143023(29)2014(2)262427(21(20)167917(25)10816)22(28)19(3224)131551118(313)12615h51321H4H213H3b1913+
MFCD04083795
ZINC000100264015
ZINC000100264017
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