Vitas-M small molecule compound
(1E)-4-methyl-1-(3-nitrophenyl)pent-1-en-3-one
Catalog ID
STL367476
SMILES O=C(C(C)C)/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 C12H13NO3 MW 219.24 g/mol Purity >90% as per NMR
InChI
InChI=1S/C12H13NO3/c1-9(2)12(14)7-6-10-4-3-5-11(8-10)13(15)16/h3-9H,1-2H3/b7-6+InChIKey
FGSXZPRPTZMQTM-VOTSOKGWSA-NSynonyms
159208-48-7(1E)4methyl1(3nitrophenyl)pent1en3one
(E)4methyl1(3nitrophenyl)pent1en3one
159208487
CC(C)C(=O)C=CC1=CC(=CC=C1)(N+)(=O)(O)
InChI=1SC12H13NO3c19(2)12(14)761043511(810)13(15)16h39H12H3b76+
MFCD00758732
O=C(C(C)C)C=Cc1cccc(c1)(N+)(=O)(O)
ZINC000083202736
ZINC83202736
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