Vitas-M small molecule compound
(4-bromo-2-{(E)-[1-(4-ethylphenyl)-2,4,6-trioxotetrahydropyrimidin-5(2H)-ylidene]methyl}phenoxy)acetic acid
Catalog ID
STK175288
SMILES CCc1ccc(cc1)N1C(=O)NC(=O)/C(=C\c2cc(Br)ccc2OCC(=O)O)/C1=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 C21H17BrN2O6 MW 473.28 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H17BrN2O6/c1-2-12-3-6-15(7-4-12)24-20(28)16(19(27)23-21(24)29)10-13-9-14(22)5-8-17(13)30-11-18(25)26/h3-10H,2,11H2,1H3,(H,25,26)(H,23,27,29)/b16-10+InChIKey
JMYCAFSTHBQMFW-MHWRWJLKSA-NSynonyms
(4BROMO2((E)(1(4ETHYLPHENYL)246TRIOXOTETRAHYDROPYRIMIDIN5(2H)YLIDENE)METHYL)PHENOXY)ACETICACID
2(4BROMO2((E)(1(4ETHYLPHENYL)246TRIOXO13DIAZINAN5YLIDENE)METHYL)PHENOXY)ACETICACID
CCC1=CC=C(C=C1)N2C(=O)C(=CC3=C(C=CC(=C3)Br)OCC(=O)O)C(=O)NC2=O
CCc1ccc(cc1)N1C(=O)NC(=O)C(=Cc2cc(Br)ccc2OCC(=O)O)C1=O
InChI=1SC21H17BrN2O6c12123615(7412)2420(28)16(19(27)2321(24)29)1013914(22)5817(13)301118(25)26h310H211H21H3(H2526)(H232729)b1610+
MFCD05041403
ZINC000003005432
ZINC3005432
Check stock
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