Vitas-M small molecule compound
4-chloro-N-[2-hydroxy-3-(4-methoxyphenoxy)propyl]-N-methyl-3-nitrobenzamide
Catalog ID
STK135455
SMILES COc1ccc(cc1)OCC(CN(C(=O)c1ccc(c(c1)[N+](=O)[O-])Cl)C)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 C18H19ClN2O6 MW 394.81 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H19ClN2O6/c1-20(18(23)12-3-8-16(19)17(9-12)21(24)25)10-13(22)11-27-15-6-4-14(26-2)5-7-15/h3-9,13,22H,10-11H2,1-2H3InChIKey
WCMAWJWHFUFVSK-UHFFFAOYSA-NSynonyms
4CHLORON(2HYDROXY3(4METHOXYPHENOXY)PROPYL)NMETHYL3NITROBENZAMIDE
CN(CC(COC1=CC=C(C=C1)OC)O)C(=O)C2=CC(=C(C=C2)Cl)(N+)(=O)(O)
COc1ccc(cc1)OCC(CN(C(=O)c1ccc(c(c1)(N+)(=O)(O))Cl)C)O
InChI=1SC18H19ClN2O6c120(18(23)123816(19)17(912)21(24)25)1013(22)1127156414(262)5715h391322H1011H212H3
MFCD08678384
ZINC000004681085
ZINC000004681086
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