Vitas-M small molecule compound
4-[(2-bromo-4-{(E)-[2,5-dioxo-1-(prop-2-en-1-yl)imidazolidin-4-ylidene]methyl}phenoxy)methyl]benzoic acid
Catalog ID
STK131769
SMILES C=CCN1C(=O)N/C(=C/c2ccc(c(c2)Br)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 C21H17BrN2O5 MW 457.28 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H17BrN2O5/c1-2-9-24-19(25)17(23-21(24)28)11-14-5-8-18(16(22)10-14)29-12-13-3-6-15(7-4-13)20(26)27/h2-8,10-11H,1,9,12H2,(H,23,28)(H,26,27)/b17-11+InChIKey
XMYSBVLUWCIDOG-GZTJUZNOSA-NSynonyms
4((2BROMO4((E)(25DIOXO1(PROP2EN1YL)IMIDAZOLIDIN4YLIDENE)METHYL)PHENOXY)METHYL)BENZOICACID
4((2BROMO4((E)(25DIOXO1PROP2ENYLIMIDAZOLIDIN4YLIDENE)METHYL)PHENOXY)METHYL)BENZOICACID
C=CCN1C(=O)C(=CC2=CC(=C(C=C2)OCC3=CC=C(C=C3)C(=O)O)Br)NC1=O
C=CCN1C(=O)NC(=Cc2ccc(c(c2)Br)OCc2ccc(cc2)C(=O)O)C1=O
InChI=1SC21H17BrN2O5c1292419(25)17(2321(24)28)11145818(16(22)1014)2912133615(7413)20(26)27h281011H1912H2(H2328)(H2627)b1711+
MFCD06150753
ZINC000009324004
ZINC9324004
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