Vitas-M small molecule compound
(2E)-1-(4-chlorophenyl)-3-(4-methoxy-3-nitrophenyl)prop-2-en-1-one
Catalog ID
STL382244
SMILES COc1ccc(cc1[N+](=O)[O-])/C=C/C(=O)c1ccc(cc1)Cl
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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 C16H12ClNO4 MW 317.73 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H12ClNO4/c1-22-16-9-3-11(10-14(16)18(20)21)2-8-15(19)12-4-6-13(17)7-5-12/h2-10H,1H3/b8-2+InChIKey
HWQRQPHTTJSKKY-KRXBUXKQSA-NSynonyms
(2E)1(4chlorophenyl)3(4methoxy3nitrophenyl)prop2en1one
(E)1(4CHLOROPHENYL)3(4METHOXY3NITROPHENYL)PROP2EN1ONE
COC1=C(C=C(C=C1)C=CC(=O)C2=CC=C(C=C2)Cl)(N+)(=O)(O)
COc1ccc(cc1(N+)(=O)(O))C=CC(=O)c1ccc(cc1)Cl
InChI=1SC16H12ClNO4c122169311(1014(16)18(20)21)2815(19)124613(17)7512h210H1H3b82+
MFCD01901345
ZINC000005072987
ZINC05072987
ZINC5072987
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