Vitas-M small molecule compound

(3E)-3-{2-[(2-bromo-4-methylphenoxy)acetyl]hydrazinylidene}-N-(2-methyl-5-nitrophenyl)butanamide

Catalog ID
STK014479
SMILES O=C(COc1ccc(cc1Br)C)N/N=C(/CC(=O)Nc1cc(ccc1C)[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 C20H21BrN4O5 MW 477.31 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H21BrN4O5/c1-12-4-7-18(16(21)8-12)30-11-20(27)24-23-14(3)9-19(26)22-17-10-15(25(28)29)6-5-13(17)2/h4-8,10H,9,11H2,1-3H3,(H,22,26)(H,24,27)/b23-14+
InChIKey
OJWQHWCEGIWGSB-OEAKJJBVSA-N
Synonyms

(3E)3((2(2bromo4methylphenoxy)acetyl)hydrazinylidene)N(2methyl5nitrophenyl)butanamide
(3E)3(2((2BROMO4METHYLPHENOXY)ACETYL)HYDRAZINYLIDENE)N(2METHYL5NITROPHENYL)BUTANAMIDE
CC1=CC(=C(C=C1)OCC(=O)NN=C(C)CC(=O)NC2=C(C=CC(=C2)(N+)(=O)(O))C)Br
InChI=1SC20H21BrN4O5c1124718(16(21)812)301120(27)242314(3)919(26)22171015(25(28)29)6513(17)2h4810H911H213H3(H2226)(H2427)b2314+
MFCD00760025
O=C(COc1ccc(cc1Br)C)NN=C(CC(=O)Nc1cc(ccc1C)(N+)(=O)(O))C
STK014479
ZINC000013940079
ZINC101393489

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Available files

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