Vitas-M small molecule compound
N-{1-[(2E)-2-(4-bromo-3-nitrobenzylidene)hydrazinyl]-3-methyl-1-oxobutan-2-yl}-2-(3-methylphenoxy)acetamide (non-preferred name)
Catalog ID
STK108987
SMILES O=C(NC(C(=O)N/N=C/c1ccc(c(c1)[N+](=O)[O-])Br)C(C)C)COc1cccc(c1)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 C21H23BrN4O5 MW 491.34 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H23BrN4O5/c1-13(2)20(24-19(27)12-31-16-6-4-5-14(3)9-16)21(28)25-23-11-15-7-8-17(22)18(10-15)26(29)30/h4-11,13,20H,12H2,1-3H3,(H,24,27)(H,25,28)/b23-11+InChIKey
YGNFRUXHZGVJFY-FOKLQQMPSA-NSynonyms
CC1=CC(=CC=C1)OCC(=O)NC(C(C)C)C(=O)NN=CC2=CC(=C(C=C2)Br)(N+)(=O)(O)
InChI=1SC21H23BrN4O5c113(2)20(2419(27)12311664514(3)916)21(28)252311157817(22)18(1015)26(29)30h4111320H12H213H3(H2427)(H2528)b2311+
MFCD03078875
N((E)(4bromo3nitrophenyl)methylideneamino)3methyl2((2(3methylphenoxy)acetyl)amino)butanamide
N(1((2(4BROMO3NITROBENZYLIDENE)HYDRAZINO)CARBONYL)2METHYLPROPYL)2(3METHYLPHENOXY)ACETAMIDE
N(1((2E)2(4BROMO3NITROBENZYLIDENE)HYDRAZINYL)3METHYL1OXOBUTAN2YL)2(3METHYLPHENOXY)ACETAMIDE(NONPREFERREDNAME)
O=C(NC(C(=O)NN=Cc1ccc(c(c1)(N+)(=O)(O))Br)C(C)C)COc1cccc(c1)C
ZINC000002121845
ZINC000002121849
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