Vitas-M small molecule compound

methyl 4-[(3E)-3-[(3,4-dimethoxyphenyl)(hydroxy)methylidene]-1-(5-methyl-1,2-oxazol-3-yl)-4,5-dioxopyrrolidin-2-yl]benzoate

Catalog ID
STK615299
SMILES COC(=O)c1ccc(cc1)C1/C(=C(/c2ccc(c(c2)OC)OC)\O)/C(=O)C(=O)N1c1noc(c1)C

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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 C25H22N2O8 MW 478.46 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H22N2O8/c1-13-11-19(26-35-13)27-21(14-5-7-15(8-6-14)25(31)34-4)20(23(29)24(27)30)22(28)16-9-10-17(32-2)18(12-16)33-3/h5-12,21,28H,1-4H3/b22-20+
InChIKey
IDLMYUNGSMMEKO-LSDHQDQOSA-N
Synonyms
618875-37-9
618875379
CC1=CC(=NO1)N2C(C(=C(C3=CC(=C(C=C3)OC)OC)O)C(=O)C2=O)C4=CC=C(C=C4)C(=O)OC
COC(=O)c1ccc(cc1)C1C(=C(c2ccc(c(c2)OC)OC)O)C(=O)C(=O)N1c1noc(c1)C
InChI=1SC25H22N2O8c1131119(263513)2721(145715(8614)25(31)344)20(23(29)24(27)30)22(28)1691017(322)18(1216)333h5122128H14H3b2220+
methyl4((3E)3((34dimethoxyphenyl)(hydroxy)methylidene)1(5methyl12oxazol3yl)45dioxopyrrolidin2yl)benzoate
METHYL4((3E)3((34DIMETHOXYPHENYL)HYDROXYMETHYLIDENE)1(5METHYL12OXAZOL3YL)45DIOXOPYRROLIDIN2YL)BENZOATE
METHYL4(3((34DIMETHOXYPHENYL)CARBONYL)4HYDROXY1(5METHYLISOXAZOL3YL)5OXO3PYRROLIN2YL)BENZOATE
MFCD08732866
ZINC000102714361
ZINC000102714363

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Available files

Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.