Vitas-M small molecule compound
N-[1-(2,3-dihydro-1,4-benzodioxin-2-yl)ethyl]-3-nitrobenzamide
Catalog ID
STK836471
SMILES CC(C1COc2c(O1)cccc2)NC(=O)c1cccc(c1)[N+](=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 C17H16N2O5 MW 328.32 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H16N2O5/c1-11(16-10-23-14-7-2-3-8-15(14)24-16)18-17(20)12-5-4-6-13(9-12)19(21)22/h2-9,11,16H,10H2,1H3,(H,18,20)InChIKey
QAUMHRBQSUPHCA-UHFFFAOYSA-NSynonyms
CC(C1COC2=CC=CC=C2O1)NC(=O)C3=CC(=CC=C3)(N+)(=O)(O)
CC(C1COc2c(O1)cccc2)NC(=O)c1cccc(c1)(N+)(=O)(O)
InChI=1SC17H16N2O5c111(16102314723815(14)2416)1817(20)1254613(912)19(21)22h291116H10H21H3(H1820)
MFCD01817113
N(1(23dihydro14benzodioxin2yl)ethyl)3nitrobenzamide
N(1(23DIHYDRO14BENZODIOXIN3YL)ETHYL)3NITROBENZAMIDE
N(1(23dihydrobenzo(b)(14)dioxin2yl)ethyl)3nitrobenzamide
ZINC000000173784
ZINC000000173794
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