Vitas-M small molecule compound

4-({4-[2-(tert-butylamino)-2-oxoethoxy]benzyl}amino)-2-chlorobenzoic acid

Catalog ID
STK511678
SMILES O=C(NC(C)(C)C)COc1ccc(cc1)CNc1ccc(c(c1)Cl)C(=O)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 C20H23ClN2O4 MW 390.87 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H23ClN2O4/c1-20(2,3)23-18(24)12-27-15-7-4-13(5-8-15)11-22-14-6-9-16(19(25)26)17(21)10-14/h4-10,22H,11-12H2,1-3H3,(H,23,24)(H,25,26)
InChIKey
KTRQYSYAPIEKRV-UHFFFAOYSA-N
Synonyms

4((4(2(tertbutylamino)2oxoethoxy)benzyl)amino)2chlorobenzoicacid
4((4(2(tertbutylamino)2oxoethoxy)phenyl)methylamino)2chlorobenzoicacid
CC(C)(C)NC(=O)COC1=CC=C(C=C1)CNC2=CC(=C(C=C2)C(=O)O)Cl
InChI=1SC20H23ClN2O4c120(23)2318(24)1227157413(5815)1122146916(19(25)26)17(21)1014h41022H1112H213H3(H2324)(H2526)
MFCD07610734
ZINC000020467937
ZINC20467937

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Available files

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