Vitas-M small molecule compound

methyl 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
STL056005
SMILES COC(=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 C27H23BrN2O8S MW 615.46 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H23BrN2O8S/c1-11-7-14-8-13(5-6-17(14)38-11)21(31)19-20(15-9-16(28)22(32)18(10-15)36-3)30(25(34)23(19)33)27-29-12(2)24(39-27)26(35)37-4/h5-6,8-11,20,31-32H,7H2,1-4H3/b21-19+
InChIKey
CJOOJLUMZZTLQU-XUTLUUPISA-N
Synonyms

CC1CC2=C(O1)C=CC(=C2)C(=C3C(N(C(=O)C3=O)C4=NC(=C(S4)C(=O)OC)C)C5=CC(=C(C(=C5)Br)O)OC)O
COC(=O)c1sc(nc1C)N1C(=O)C(=O)C(=C(c2ccc3c(c2)CC(O3)C)O)C1c1cc(Br)c(c(c1)OC)O
InChI=1SC27H23BrN2O8Sc111714813(5617(14)3811)21(31)1920(15916(28)22(32)18(1015)363)30(25(34)23(19)33)272912(2)24(3927)26(35)374h56811203132H7H214H3b2119+
methyl2((3E)2(3bromo4hydroxy5methoxyphenyl)3(hydroxy(2methyl23dihydro1benzofuran5yl)methylidene)45dioxopyrrolidin1yl)4methyl13thiazole5carboxylate
MFCD05731331
ZINC000102895152
ZINC000102895157

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Available files

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