Vitas-M small molecule compound
4-({[4-(benzyloxy)-3-bromo-5-methoxybenzyl]amino}methyl)benzoic acid
Catalog ID
STK513327
SMILES COc1cc(CNCc2ccc(cc2)C(=O)O)cc(c1OCc1ccccc1)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 C23H22BrNO4 MW 456.34 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H22BrNO4/c1-28-21-12-18(14-25-13-16-7-9-19(10-8-16)23(26)27)11-20(24)22(21)29-15-17-5-3-2-4-6-17/h2-12,25H,13-15H2,1H3,(H,26,27)InChIKey
NEQYPSYCGFKJAM-UHFFFAOYSA-NSynonyms
4((((3BROMO5METHOXY4(PHENYLMETHOXY)PHENYL)METHYL)AMINO)METHYL)BENZOICACID
4(((3BROMO5METHOXY4PHENYLMETHOXYPHENYL)METHYLAMINO)METHYL)BENZOICACID
4(((3bromo5methoxy4phenylmethoxyphenyl)methylazaniumyl)methyl)benzoate
4(((4(benzyloxy)3bromo5methoxybenzyl)amino)methyl)benzoicacid
COC1=C(C(=CC(=C1)C(NH2+)CC2=CC=C(C=C2)C(=O)(O))Br)OCC3=CC=CC=C3
InChI=1SC23H22BrNO4c128211218(142513167919(10816)23(26)27)1120(24)22(21)2915175324617h21225H1315H21H3(H2627)
MFCD07408297
ZINC000016195718
ZINC16195718
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