Vitas-M small molecule compound
(2E)-3-(2-chloro-5-nitrophenyl)-2-cyano-N-(propan-2-yl)prop-2-enamide
Catalog ID
STK393868
SMILES CC(NC(=O)/C(=C/c1cc(ccc1Cl)[N+](=O)[O-])/C#N)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 C13H12ClN3O3 MW 293.71 g/mol Purity >90% as per NMR
InChI
InChI=1S/C13H12ClN3O3/c1-8(2)16-13(18)10(7-15)5-9-6-11(17(19)20)3-4-12(9)14/h3-6,8H,1-2H3,(H,16,18)/b10-5+InChIKey
QWMFJOKAEKNMGU-BJMVGYQFSA-NSynonyms
(2E)3(2CHLORO5NITROPHENYL)2CYANON(METHYLETHYL)PROP2ENAMIDE
(2E)3(2chloro5nitrophenyl)2cyanoN(propan2yl)prop2enamide
(E)3(2CHLORO5NITROPHENYL)2CYANONPROPAN2YLPROP2ENAMIDE
CC(C)NC(=O)C(=CC1=C(C=CC(=C1)(N+)(=O)(O))Cl)C#N
CC(NC(=O)C(=Cc1cc(ccc1Cl)(N+)(=O)(O))C#N)C
InChI=1SC13H12ClN3O3c18(2)1613(18)10(715)59611(17(19)20)3412(9)14h368H12H3(H1618)b105+
MFCD03834713
ZINC000004506775
ZINC04506775
ZINC4506775
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