Vitas-M small molecule compound
3-({2-bromo-4-[(E)-(1-ethyl-2,5-dioxoimidazolidin-4-ylidene)methyl]phenoxy}methyl)benzoic acid
Catalog ID
STK165704
SMILES CCN1C(=O)N/C(=C/c2ccc(c(c2)Br)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 C20H17BrN2O5 MW 445.27 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H17BrN2O5/c1-2-23-18(24)16(22-20(23)27)10-12-6-7-17(15(21)9-12)28-11-13-4-3-5-14(8-13)19(25)26/h3-10H,2,11H2,1H3,(H,22,27)(H,25,26)/b16-10+InChIKey
CSCJWTPLRMLOBU-MHWRWJLKSA-NSynonyms
3((2BROMO4((E)(1ETHYL25DIOXOIMIDAZOLIDIN4YLIDENE)METHYL)PHENOXY)METHYL)BENZOICACID
CCN1C(=O)C(=CC2=CC(=C(C=C2)OCC3=CC=CC(=C3)C(=O)O)Br)NC1=O
CCN1C(=O)NC(=Cc2ccc(c(c2)Br)OCc2cccc(c2)C(=O)O)C1=O
InChI=1SC20H17BrN2O5c122318(24)16(2220(23)27)10126717(15(21)912)28111343514(813)19(25)26h310H211H21H3(H2227)(H2526)b1610+
MFCD03864351
ZINC000008451887
ZINC8451887
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