Vitas-M small molecule compound
ethyl (2E)-5-(4-bromophenyl)-2-(4-hydroxy-3-methoxybenzylidene)-7-methyl-3-oxo-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
Catalog ID
STL407011
SMILES CCOC(=O)C1=C(C)N=c2n(C1c1ccc(cc1)Br)c(=O)/c(=C\c1ccc(c(c1)OC)O)/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 C24H21BrN2O5S MW 529.41 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H21BrN2O5S/c1-4-32-23(30)20-13(2)26-24-27(21(20)15-6-8-16(25)9-7-15)22(29)19(33-24)12-14-5-10-17(28)18(11-14)31-3/h5-12,21,28H,4H2,1-3H3/b19-12+InChIKey
QSWULSJMVNJGKQ-XDHOZWIPSA-NSynonyms
CCOC(=O)C1=C(C)N=c2n(C1c1ccc(cc1)Br)c(=O)c(=Cc1ccc(c(c1)OC)O)s2
CCOC(=O)C1=C(N=C2N(C1C3=CC=C(C=C3)Br)C(=O)C(=CC4=CC(=C(C=C4)O)OC)S2)C
ethyl(2E)5(4bromophenyl)2((4hydroxy3methoxyphenyl)methylidene)7methyl3oxo5H(13)thiazolo(32a)pyrimidine6carboxylate
ethyl(2E)5(4bromophenyl)2(4hydroxy3methoxybenzylidene)7methyl3oxo23dihydro5H(13)thiazolo(32a)pyrimidine6carboxylate
InChI=1SC24H21BrN2O5Sc143223(30)2013(2)262427(21(20)156816(25)9715)22(29)19(3324)121451017(28)18(1114)313h5122128H4H213H3b1912+
MFCD04083803
ZINC000103726068
ZINC000103726074
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