Vitas-M small molecule compound
ethyl (2Z)-2-(5-bromo-2-hydroxy-3-methoxybenzylidene)-5-(4-ethoxyphenyl)-7-methyl-3-oxo-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
Catalog ID
STK023317
SMILES CCOC(=O)C1=C(C)N=c2n(C1c1ccc(cc1)OCC)c(=O)/c(=C/c1cc(Br)cc(c1O)OC)/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 C26H25BrN2O6S MW 573.46 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H25BrN2O6S/c1-5-34-18-9-7-15(8-10-18)22-21(25(32)35-6-2)14(3)28-26-29(22)24(31)20(36-26)12-16-11-17(27)13-19(33-4)23(16)30/h7-13,22,30H,5-6H2,1-4H3/b20-12-InChIKey
WEHPTVDQEYQQBK-NDENLUEZSA-NSynonyms
CCOC(=O)C1=C(C)N=c2n(C1c1ccc(cc1)OCC)c(=O)c(=Cc1cc(Br)cc(c1O)OC)s2
CCOC1=CC=C(C=C1)C2C(=C(N=C3N2C(=O)C(=CC4=CC(=CC(=C4O)OC)Br)S3)C)C(=O)OCC
ETHYL(2Z)2((5BROMO2HYDROXY3METHOXYPHENYL)METHYLIDENE)5(4ETHOXYPHENYL)7METHYL3OXO5H(13)THIAZOLO(32A)PYRIMIDINE6CARBOXYLATE
ETHYL(2Z)2(5BROMO2HYDROXY3METHOXYBENZYLIDENE)5(4ETHOXYPHENYL)7METHYL3OXO23DIHYDRO5H(13)THIAZOLO(32A)PYRIMIDINE6CARBOXYLATE
ETHYL2(5BROMO2HYDROXY3METHOXYBENZYLIDENE)5(4ETHOXYPHENYL)7METHYL3OXO23DIHYDRO5H(13)THIAZOLO(32A)PYRIMIDINE6CARBOXYLATE
InChI=1SC26H25BrN2O6Sc1534189715(81018)2221(25(32)3562)14(3)282629(22)24(31)20(3626)12161117(27)1319(334)23(16)30h7132230H56H214H3b2012
MFCD02070340
STK023317
ZINC000002120443
ZINC000002120449
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