Vitas-M small molecule compound
2-chloro-N-[(1,5-dimethyl-1H-pyrazol-4-yl)methyl]-5-nitrobenzamide
Catalog ID
STK959751
SMILES O=C(c1cc(ccc1Cl)[N+](=O)[O-])NCc1cnn(c1C)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 C13H13ClN4O3 MW 308.72 g/mol Purity >90% as per NMR
InChI
InChI=1S/C13H13ClN4O3/c1-8-9(7-16-17(8)2)6-15-13(19)11-5-10(18(20)21)3-4-12(11)14/h3-5,7H,6H2,1-2H3,(H,15,19)InChIKey
IOSKMIRJWSWDNG-UHFFFAOYSA-NSynonyms
490014-61-42chloroN((15dimethyl1Hpyrazol4yl)methyl)5nitrobenzamide
2CHLORON((15DIMETHYLPYRAZOL4YL)METHYL)5NITROBENZAMIDE
490014614
CC1=C(C=NN1C)CNC(=O)C2=C(C=CC(=C2)(N+)(=O)(O))Cl
InChI=1SC13H13ClN4O3c189(71617(8)2)61513(19)11510(18(20)21)3412(11)14h357H6H212H3(H1519)
MFCD02372534
O=C(c1cc(ccc1Cl)(N+)(=O)(O))NCc1cnn(c1C)C
ZINC000000355645
ZINC00355645
ZINC355645
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