Vitas-M small molecule compound
ethyl 2-{(3E)-2-(3-bromo-4-hydroxy-5-methoxyphenyl)-3-[hydroxy(2-methyl-2,3-dihydro-1-benzofuran-5-yl)methylidene]-4,5-dioxopyrrolidin-1-yl}-4-methyl-1,3-thiazole-5-carboxylate
Catalog ID
STK569676
SMILES CCOC(=O)c1sc(nc1C)N1C(=O)C(=O)/C(=C(\c2ccc3c(c2)CC(O3)C)/O)/C1c1cc(Br)c(c(c1)OC)O
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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 C28H25BrN2O8S MW 629.49 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H25BrN2O8S/c1-5-38-27(36)25-13(3)30-28(40-25)31-21(16-10-17(29)23(33)19(11-16)37-4)20(24(34)26(31)35)22(32)14-6-7-18-15(9-14)8-12(2)39-18/h6-7,9-12,21,32-33H,5,8H2,1-4H3/b22-20+InChIKey
FFRKMZWTZWKYLW-LSDHQDQOSA-NSynonyms
893700-19-1893700191
CCOC(=O)C1=C(N=C(S1)N2C(C(=C(C3=CC4=C(C=C3)OC(C4)C)O)C(=O)C2=O)C5=CC(=C(C(=C5)Br)O)OC)C
CCOC(=O)c1sc(nc1C)N1C(=O)C(=O)C(=C(c2ccc3c(c2)CC(O3)C)O)C1c1cc(Br)c(c(c1)OC)O
ethyl2((3E)2(3bromo4hydroxy5methoxyphenyl)3(hydroxy(2methyl23dihydro1benzofuran5yl)methylidene)45dioxopyrrolidin1yl)4methyl13thiazole5carboxylate
InChI=1SC28H25BrN2O8Sc153827(36)2513(3)3028(4025)3121(161017(29)23(33)19(1116)374)20(24(34)26(31)35)22(32)14671815(914)812(2)3918h67912213233H58H214H3b2220+
MFCD05732679
ZINC000150445201
ZINC000150445212
Check stock
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Check stock on Vitas-MAvailable files
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