Vitas-M small molecule compound
N-(6-acetyl-1,3-benzodioxol-5-yl)-3,5-dinitrobenzamide
Catalog ID
STK439645
SMILES O=C(c1cc(cc(c1)[N+](=O)[O-])[N+](=O)[O-])Nc1cc2OCOc2cc1C(=O)C
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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 C16H11N3O8 MW 373.28 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H11N3O8/c1-8(20)12-5-14-15(27-7-26-14)6-13(12)17-16(21)9-2-10(18(22)23)4-11(3-9)19(24)25/h2-6H,7H2,1H3,(H,17,21)InChIKey
RSKYQCKAKWEWIP-UHFFFAOYSA-NSynonyms
CC(=O)C1=CC2=C(C=C1NC(=O)C3=CC(=CC(=C3)(N+)(=O)(O))(N+)(=O)(O))OCO2
InChI=1SC16H11N3O8c18(20)1251415(2772614)613(12)1716(21)9210(18(22)23)411(39)19(24)25h26H7H21H3(H1721)
MFCD03197331
N(6acetyl13benzodioxol5yl)35dinitrobenzamide
O=C(c1cc(cc(c1)(N+)(=O)(O))(N+)(=O)(O))Nc1cc2OCOc2cc1C(=O)C
ZINC000016321905
ZINC16321905
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