Vitas-M small molecule compound
ethyl (2E)-5-(1,3-benzodioxol-5-yl)-2-(2-bromo-4-hydroxy-5-methoxybenzylidene)-7-methyl-3-oxo-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
Catalog ID
STK676541
SMILES CCOC(=O)C1=C(C)N=c2n(C1c1ccc3c(c1)OCO3)c(=O)/c(=C\c1cc(OC)c(cc1Br)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 C25H21BrN2O7S MW 573.42 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H21BrN2O7S/c1-4-33-24(31)21-12(2)27-25-28(22(21)13-5-6-17-19(7-13)35-11-34-17)23(30)20(36-25)9-14-8-18(32-3)16(29)10-15(14)26/h5-10,22,29H,4,11H2,1-3H3/b20-9+InChIKey
AVRMVAKQRGQILG-AWQFTUOYSA-NSynonyms
CCOC(=O)C1=C(C)N=c2n(C1c1ccc3c(c1)OCO3)c(=O)c(=Cc1cc(OC)c(cc1Br)O)s2
CCOC(=O)C1=C(N=C2N(C1C3=CC4=C(C=C3)OCO4)C(=O)C(=CC5=CC(=C(C=C5Br)O)OC)S2)C
ETHYL(2E)5(13BENZODIOXOL5YL)2((2BROMO4HYDROXY5METHOXYPHENYL)METHYLIDENE)7METHYL3OXO5H(13)THIAZOLO(32A)PYRIMIDINE6CARBOXYLATE
ethyl(2E)5(13benzodioxol5yl)2(2bromo4hydroxy5methoxybenzylidene)7methyl3oxo23dihydro5H(13)thiazolo(32a)pyrimidine6carboxylate
InChI=1SC25H21BrN2O7Sc143324(31)2112(2)272528(22(21)13561719(713)35113417)23(30)20(3625)914818(323)16(29)1015(14)26h5102229H411H213H3b209+
MFCD02110633
ZINC000100092045
ZINC000100092050
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