Vitas-M small molecule compound

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

Catalog ID
STK609941
SMILES COC(=O)c1ccc(cc1)C1/C(=C(/c2ccc(cc2)Br)\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 C23H17BrN2O6 MW 497.30 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H17BrN2O6/c1-12-11-17(25-32-12)26-19(13-3-5-15(6-4-13)23(30)31-2)18(21(28)22(26)29)20(27)14-7-9-16(24)10-8-14/h3-11,19,27H,1-2H3/b20-18+
InChIKey
CTGIUMIDZQOUGP-CZIZESTLSA-N
Synonyms
618876-06-5
618876065
CC1=CC(=NO1)N2C(C(=C(C3=CC=C(C=C3)Br)O)C(=O)C2=O)C4=CC=C(C=C4)C(=O)OC
COC(=O)c1ccc(cc1)C1C(=C(c2ccc(cc2)Br)O)C(=O)C(=O)N1c1noc(c1)C
InChI=1SC23H17BrN2O6c1121117(253212)2619(133515(6413)23(30)312)18(21(28)22(26)29)20(27)147916(24)10814h3111927H12H3b2018+
methyl4((3E)3((4bromophenyl)(hydroxy)methylidene)1(5methyl12oxazol3yl)45dioxopyrrolidin2yl)benzoate
METHYL4((3E)3((4BROMOPHENYL)HYDROXYMETHYLIDENE)1(5METHYL12OXAZOL3YL)45DIOXOPYRROLIDIN2YL)BENZOATE
METHYL4(3((4BROMOPHENYL)CARBONYL)4HYDROXY1(5METHYLISOXAZOL3YL)5OXO3PYRROLIN2YL)BENZOATE
MFCD08730900
ZINC000102706406
ZINC000102706410

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Available files

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