Vitas-M small molecule compound
N-(3,4-dihydro-1H-isochromen-1-ylmethyl)-2-nitrobenzamide
Catalog ID
STL329061
SMILES [O-][N+](=O)c1ccccc1C(=O)NCC1OCCc2c1cccc2
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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 C17H16N2O4 MW 312.33 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H16N2O4/c20-17(14-7-3-4-8-15(14)19(21)22)18-11-16-13-6-2-1-5-12(13)9-10-23-16/h1-8,16H,9-11H2,(H,18,20)InChIKey
KDTQZJQXADWTAE-UHFFFAOYSA-NSynonyms
(O)(N+)(=O)c1ccccc1C(=O)NCC1OCCc2c1cccc2
C1COC(C2=CC=CC=C21)CNC(=O)C3=CC=CC=C3(N+)(=O)(O)
InChI=1SC17H16N2O4c2017(14734815(14)19(21)22)18111613621512(13)9102316h1816H911H2(H1820)
MFCD01817122
N(34dihydro1Hisochromen1ylmethyl)2nitrobenzamide
N(isochroman1ylmethyl)2nitrobenzamide
NISOCHROMAN1YLMETHYL2NITROBENZAMIDE
ZINC000000181789
ZINC000000181790
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