Vitas-M small molecule compound
3-[(2-bromo-4-{(E)-[2,5-dioxo-1-(prop-2-en-1-yl)imidazolidin-4-ylidene]methyl}-6-methoxyphenoxy)methyl]benzoic acid
Catalog ID
STK162697
SMILES C=CCN1C(=O)N/C(=C/c2cc(Br)c(c(c2)OC)OCc2cccc(c2)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 C22H19BrN2O6 MW 487.31 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H19BrN2O6/c1-3-7-25-20(26)17(24-22(25)29)10-14-9-16(23)19(18(11-14)30-2)31-12-13-5-4-6-15(8-13)21(27)28/h3-6,8-11H,1,7,12H2,2H3,(H,24,29)(H,27,28)/b17-10+InChIKey
WJEDQOPZIPLICY-LICLKQGHSA-NSynonyms
3((2BROMO4((E)(25DIOXO1(PROP2EN1YL)IMIDAZOLIDIN4YLIDENE)METHYL)6METHOXYPHENOXY)METHYL)BENZOICACID
3((2BROMO4((E)(25DIOXO1PROP2ENYLIMIDAZOLIDIN4YLIDENE)METHYL)6METHOXYPHENOXY)METHYL)BENZOICACID
C=CCN1C(=O)NC(=Cc2cc(Br)c(c(c2)OC)OCc2cccc(c2)C(=O)O)C1=O
COC1=C(C(=CC(=C1)C=C2C(=O)N(C(=O)N2)CC=C)Br)OCC3=CC=CC(=C3)C(=O)O
InChI=1SC22H19BrN2O6c1372520(26)17(2422(25)29)1014916(23)19(18(1114)302)31121354615(813)21(27)28h36811H1712H22H3(H2429)(H2728)b1710+
MFCD05800866
ZINC000009323852
ZINC9323852
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