Vitas-M small molecule compound
(2E)-1-(1,3-benzodioxol-5-yl)-3-(3-nitrophenyl)prop-2-en-1-one
Catalog ID
STK306220
SMILES O=C(c1ccc2c(c1)OCO2)/C=C/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 C16H11NO5 MW 297.27 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H11NO5/c18-14(12-5-7-15-16(9-12)22-10-21-15)6-4-11-2-1-3-13(8-11)17(19)20/h1-9H,10H2/b6-4+InChIKey
DXIFNBLJXZHOGP-GQCTYLIASA-NSynonyms
828275-95-2(2E)1(13benzodioxol5yl)3(3nitrophenyl)prop2en1one
(2E)1(2HBENZO(34D)13DIOXOLAN5YL)3(3NITROPHENYL)PROP2EN1ONE
(E)1(13BENZODIOXOL5YL)3(3NITROPHENYL)PROP2EN1ONE
828275952
C1OC2=C(O1)C=C(C=C2)C(=O)C=CC3=CC(=CC=C3)(N+)(=O)(O)
InChI=1SC16H11NO5c1814(12571516(912)22102115)641121313(811)17(19)20h19H10H2b64+
MFCD04052805
O=C(c1ccc2c(c1)OCO2)C=Cc1cccc(c1)(N+)(=O)(O)
ZINC000005129086
ZINC05129086
ZINC5129086
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