Vitas-M small molecule compound
(2-bromo-4-{(E)-[1-(4-tert-butylphenyl)-2,4,6-trioxotetrahydropyrimidin-5(2H)-ylidene]methyl}phenoxy)acetic acid
Catalog ID
STK170371
SMILES OC(=O)COc1ccc(cc1Br)/C=C/1\C(=O)NC(=O)N(C1=O)c1ccc(cc1)C(C)(C)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 C23H21BrN2O6 MW 501.33 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H21BrN2O6/c1-23(2,3)14-5-7-15(8-6-14)26-21(30)16(20(29)25-22(26)31)10-13-4-9-18(17(24)11-13)32-12-19(27)28/h4-11H,12H2,1-3H3,(H,27,28)(H,25,29,31)/b16-10+InChIKey
KTGMAWQFCIDFIB-MHWRWJLKSA-NSynonyms
(2BROMO4((E)(1(4TERTBUTYLPHENYL)246TRIOXOTETRAHYDROPYRIMIDIN5(2H)YLIDENE)METHYL)PHENOXY)ACETICACID
(E)2(2bromo4((1(4(tertbutyl)phenyl)246trioxotetrahydropyrimidin5(2H)ylidene)methyl)phenoxy)aceticacid
2(2BROMO4((E)(1(4TERTBUTYLPHENYL)246TRIOXO13DIAZINAN5YLIDENE)METHYL)PHENOXY)ACETICACID
CC(C)(C)C1=CC=C(C=C1)N2C(=O)C(=CC3=CC(=C(C=C3)OCC(=O)O)Br)C(=O)NC2=O
InChI=1SC23H21BrN2O6c123(23)145715(8614)2621(30)16(20(29)2522(26)31)10134918(17(24)1113)321219(27)28h411H12H213H3(H2728)(H252931)b1610+
MFCD02633970
OC(=O)COc1ccc(cc1Br)C=C1C(=O)NC(=O)N(C1=O)c1ccc(cc1)C(C)(C)C
ZINC000002301362
ZINC2301362
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