Vitas-M small molecule compound
ethyl (2E)-5-(3-bromo-4-methoxyphenyl)-7-methyl-3-oxo-2-[4-(pyrrolidin-1-yl)benzylidene]-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
Catalog ID
STK112780
SMILES CCOC(=O)C1=C(C)N=c2n(C1c1ccc(c(c1)Br)OC)c(=O)/c(=C\c1ccc(cc1)N1CCCC1)/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 C28H28BrN3O4S MW 582.52 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H28BrN3O4S/c1-4-36-27(34)24-17(2)30-28-32(25(24)19-9-12-22(35-3)21(29)16-19)26(33)23(37-28)15-18-7-10-20(11-8-18)31-13-5-6-14-31/h7-12,15-16,25H,4-6,13-14H2,1-3H3/b23-15+InChIKey
TVPHCEMSZUQUIZ-HZHRSRAPSA-NSynonyms
CCOC(=O)C1=C(C)N=c2n(C1c1ccc(c(c1)Br)OC)c(=O)c(=Cc1ccc(cc1)N1CCCC1)s2
CCOC(=O)C1=C(N=C2N(C1C3=CC(=C(C=C3)OC)Br)C(=O)C(=CC4=CC=C(C=C4)N5CCCC5)S2)C
ethyl(2E)5(3bromo4methoxyphenyl)7methyl3oxo2((4pyrrolidin1ylphenyl)methylidene)5H(13)thiazolo(32a)pyrimidine6carboxylate
ETHYL(2E)5(3BROMO4METHOXYPHENYL)7METHYL3OXO2(4(PYRROLIDIN1YL)BENZYLIDENE)23DIHYDRO5H(13)THIAZOLO(32A)PYRIMIDINE6CARBOXYLATE
InChI=1SC28H28BrN3O4Sc143627(34)2417(2)302832(25(24)1991222(353)21(29)1619)26(33)23(3728)151871020(11818)3113561431h712151625H461314H213H3b2315+
MFCD05149928
ZINC000097959677
ZINC000097959678
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