Vitas-M small molecule compound

4-methoxy-3-(morpholin-4-ylmethyl)benzoic acid

Catalog ID
STK313367
SMILES COc1ccc(cc1CN1CCOCC1)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 C13H17NO4 MW 251.28 g/mol Purity >90% as per NMR
InChI
InChI=1S/C13H17NO4/c1-17-12-3-2-10(13(15)16)8-11(12)9-14-4-6-18-7-5-14/h2-3,8H,4-7,9H2,1H3,(H,15,16)
InChIKey
XQGGOCJADNCVHW-UHFFFAOYSA-N
Synonyms
832741-26-1
4methoxy3(morpholin4ium4ylmethyl)benzoate
4methoxy3(morpholin4ylmethyl)benzoicacid
4METHOXY3(MORPHOLINOMETHYL)BENZOICACID
4METHOXY3MORPHOLIN4YLMETHYLBENZOICACID
832741261
COC1=C(C=C(C=C1)C(=O)(O))C(NH+)2CCOCC2
InChI=1SC13H17NO4c117123210(13(15)16)811(12)91446187514h238H479H21H3(H1516)
MFCD05667208
ZINC000002552550
ZINC02552550
ZINC2552550

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Available files

Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.