Vitas-M small molecule compound
(2E)-3-(5-chloro-2-hydroxy-3-nitrophenyl)-2-methylprop-2-enal
Catalog ID
STK390217
SMILES O=C/C(=C/c1cc(Cl)cc(c1O)[N+](=O)[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 C10H8ClNO4 MW 241.63 g/mol Purity >90% as per NMR
InChI
InChI=1S/C10H8ClNO4/c1-6(5-13)2-7-3-8(11)4-9(10(7)14)12(15)16/h2-5,14H,1H3/b6-2+InChIKey
RVWZBMFOAKVGAR-QHHAFSJGSA-NSynonyms
(2E)3(5CHLORO2HYDROXY3NITROPHENYL)2METHYLPROP2ENAL
(E)3(5CHLORO2HYDROXY3NITROPHENYL)2METHYLPROP2ENAL
CC(=CC1=CC(=CC(=C1O)(N+)(=O)(O))Cl)C=O
InChI=1SC10H8ClNO4c16(513)2738(11)49(10(7)14)12(15)16h2514H1H3b62+
MFCD02628431
O=CC(=Cc1cc(Cl)cc(c1O)(N+)(=O)(O))C
ZINC000012342777
ZINC12342777
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