Vitas-M small molecule compound
3-nitro-N'-[(2E)-4-oxopentan-2-ylidene]benzohydrazide
Catalog ID
STK092373
SMILES CC(=O)C/C(=N/NC(=O)c1cccc(c1)[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 C12H13N3O4 MW 263.25 g/mol Purity >90% as per NMR
InChI
InChI=1S/C12H13N3O4/c1-8(6-9(2)16)13-14-12(17)10-4-3-5-11(7-10)15(18)19/h3-5,7H,6H2,1-2H3,(H,14,17)/b13-8+InChIKey
IXXGYUHEZFJSRO-MDWZMJQESA-NSynonyms
3NITRON((2E)4OXOPENTAN2YLIDENE)BENZOHYDRAZIDE
3nitroN((E)4oxopentan2ylideneamino)benzamide
CC(=NNC(=O)C1=CC(=CC=C1)(N+)(=O)(O))CC(=O)C
CC(=O)CC(=NNC(=O)c1cccc(c1)(N+)(=O)(O))C
InChI=1SC12H13N3O4c18(69(2)16)131412(17)1043511(710)15(18)19h357H6H212H3(H1417)b138+
MFCD00612206
STK092373
ZINC000100004861
ZINC101494527
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