Vitas-M small molecule compound
(2-bromo-6-methoxy-4-{(Z)-[1-(3-methylphenyl)-2,4,6-trioxotetrahydropyrimidin-5(2H)-ylidene]methyl}phenoxy)acetic acid
Catalog ID
STK170338
SMILES COc1cc(/C=C\2/C(=O)NC(=O)N(C2=O)c2cccc(c2)C)cc(c1OCC(=O)O)Br
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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 C21H17BrN2O7 MW 489.28 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H17BrN2O7/c1-11-4-3-5-13(6-11)24-20(28)14(19(27)23-21(24)29)7-12-8-15(22)18(16(9-12)30-2)31-10-17(25)26/h3-9H,10H2,1-2H3,(H,25,26)(H,23,27,29)/b14-7-InChIKey
NSEIJCCIOKDWDJ-AUWJEWJLSA-NSynonyms
(2BROMO6METHOXY4((Z)(1(3METHYLPHENYL)246TRIOXOTETRAHYDROPYRIMIDIN5(2H)YLIDENE)METHYL)PHENOXY)ACETICACID
2(2BROMO6METHOXY4((Z)(1(3METHYLPHENYL)246TRIOXO13DIAZINAN5YLIDENE)METHYL)PHENOXY)ACETICACID
CC1=CC(=CC=C1)N2C(=O)C(=CC3=CC(=C(C(=C3)Br)OCC(=O)O)OC)C(=O)NC2=O
COc1cc(C=C2C(=O)NC(=O)N(C2=O)c2cccc(c2)C)cc(c1OCC(=O)O)Br
InChI=1SC21H17BrN2O7c11143513(611)2420(28)14(19(27)2321(24)29)712815(22)18(16(912)302)311017(25)26h39H10H212H3(H2526)(H232729)b147
MFCD02212317
ZINC000014010673
ZINC14010673
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