Vitas-M small molecule compound
methyl 2-{[(3E)-3-{2-[(2-bromo-4-methylphenoxy)acetyl]hydrazinylidene}butanoyl]amino}benzoate
Catalog ID
STK752263
SMILES COC(=O)c1ccccc1NC(=O)C/C(=N/NC(=O)COc1ccc(cc1Br)C)/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 C21H22BrN3O5 MW 476.33 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H22BrN3O5/c1-13-8-9-18(16(22)10-13)30-12-20(27)25-24-14(2)11-19(26)23-17-7-5-4-6-15(17)21(28)29-3/h4-10H,11-12H2,1-3H3,(H,23,26)(H,25,27)/b24-14+InChIKey
YHDBCIQTIQOEGT-ZVHZXABRSA-NSynonyms
CC1=CC(=C(C=C1)OCC(=O)NN=C(C)CC(=O)NC2=CC=CC=C2C(=O)OC)Br
COC(=O)c1ccccc1NC(=O)CC(=NNC(=O)COc1ccc(cc1Br)C)C
InChI=1SC21H22BrN3O5c1138918(16(22)1013)301220(27)252414(2)1119(26)2317754615(17)21(28)293h410H1112H213H3(H2326)(H2527)b2414+
methyl2(((3E)3((2(2bromo4methylphenoxy)acetyl)hydrazinylidene)butanoyl)amino)benzoate
methyl2(((3E)3(2((2bromo4methylphenoxy)acetyl)hydrazinylidene)butanoyl)amino)benzoate
MFCD00819848
ZINC000015134642
ZINC102869189
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