Vitas-M small molecule compound
3-({3-bromo-4-[2-(tert-butylamino)-2-oxoethoxy]-5-methoxybenzyl}amino)benzoic acid
Catalog ID
STK195075
SMILES COc1cc(CNc2cccc(c2)C(=O)O)cc(c1OCC(=O)NC(C)(C)C)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 C21H25BrN2O5 MW 465.34 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H25BrN2O5/c1-21(2,3)24-18(25)12-29-19-16(22)8-13(9-17(19)28-4)11-23-15-7-5-6-14(10-15)20(26)27/h5-10,23H,11-12H2,1-4H3,(H,24,25)(H,26,27)InChIKey
FGOVFPUWWUGYNT-UHFFFAOYSA-NSynonyms
3((3BROMO4(2(TERTBUTYLAMINO)2OXOETHOXY)5METHOXYBENZYL)AMINO)BENZOICACID
3((3BROMO4(2(TERTBUTYLAMINO)2OXOETHOXY)5METHOXYPHENYL)METHYLAMINO)BENZOICACID
CC(C)(C)NC(=O)COC1=C(C=C(C=C1Br)CNC2=CC=CC(=C2)C(=O)O)OC
InChI=1SC21H25BrN2O5c121(23)2418(25)12291916(22)813(917(19)284)11231575614(1015)20(26)27h51023H1112H214H3(H2425)(H2627)
MFCD04150848
ZINC000008443882
ZINC8443882
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