Vitas-M small molecule compound
N-[5-(1,3-benzoxazol-2-yl)-2-methoxyphenyl]-4-methyl-3-nitrobenzamide
Catalog ID
STK294682
SMILES COc1ccc(cc1NC(=O)c1ccc(c(c1)[N+](=O)[O-])C)c1nc2c(o1)cccc2
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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 C22H17N3O5 MW 403.39 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H17N3O5/c1-13-7-8-14(12-18(13)25(27)28)21(26)23-17-11-15(9-10-19(17)29-2)22-24-16-5-3-4-6-20(16)30-22/h3-12H,1-2H3,(H,23,26)InChIKey
LOLAUZMDBLPEDS-UHFFFAOYSA-NSynonyms
CC1=C(C=C(C=C1)C(=O)NC2=C(C=CC(=C2)C3=NC4=CC=CC=C4O3)OC)(N+)(=O)(O)
COc1ccc(cc1NC(=O)c1ccc(c(c1)(N+)(=O)(O))C)c1nc2c(o1)cccc2
InChI=1SC22H17N3O5c1137814(1218(13)25(27)28)21(26)23171115(91019(17)292)222416534620(16)3022h312H12H3(H2326)
MFCD08092704
N(5(13benzoxazol2yl)2methoxyphenyl)4methyl3nitrobenzamide
ZINC000013946183
ZINC13946183
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