Vitas-M small molecule compound
4-({2-bromo-4-[(E)-(2,5-dioxo-1-propylimidazolidin-4-ylidene)methyl]-6-methoxyphenoxy}methyl)benzoic acid
Catalog ID
STK187527
SMILES CCCN1C(=O)N/C(=C/c2cc(Br)c(c(c2)OC)OCc2ccc(cc2)C(=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 C22H21BrN2O6 MW 489.32 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H21BrN2O6/c1-3-8-25-20(26)17(24-22(25)29)10-14-9-16(23)19(18(11-14)30-2)31-12-13-4-6-15(7-5-13)21(27)28/h4-7,9-11H,3,8,12H2,1-2H3,(H,24,29)(H,27,28)/b17-10+InChIKey
QDKDHBNHIVRXQO-LICLKQGHSA-NSynonyms
4((2BROMO4((E)(25DIOXO1PROPYLIMIDAZOLIDIN4YLIDENE)METHYL)6METHOXYPHENOXY)METHYL)BENZOICACID
CCCN1C(=O)C(=CC2=CC(=C(C(=C2)Br)OCC3=CC=C(C=C3)C(=O)O)OC)NC1=O
CCCN1C(=O)NC(=Cc2cc(Br)c(c(c2)OC)OCc2ccc(cc2)C(=O)O)C1=O
InChI=1SC22H21BrN2O6c1382520(26)17(2422(25)29)1014916(23)19(18(1114)302)3112134615(7513)21(27)28h47911H3812H212H3(H2429)(H2728)b1710+
MFCD06760890
ZINC000009324377
ZINC9324377
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