Vitas-M small molecule compound

tert-butyl (2E)-2-{4-[(4-chloro-2,5-dimethoxyphenyl)amino]-4-oxobutan-2-ylidene}hydrazinecarboxylate

Catalog ID
STK325272
SMILES COc1cc(Cl)c(cc1NC(=O)C/C(=N/NC(=O)OC(C)(C)C)/C)OC

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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 C17H24ClN3O5 MW 385.85 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H24ClN3O5/c1-10(20-21-16(23)26-17(2,3)4)7-15(22)19-12-9-13(24-5)11(18)8-14(12)25-6/h8-9H,7H2,1-6H3,(H,19,22)(H,21,23)/b20-10+
InChIKey
FAAXZDBDEMTCIJ-KEBDBYFISA-N
Synonyms

CC(=NNC(=O)OC(C)(C)C)CC(=O)NC1=CC(=C(C=C1OC)Cl)OC
COc1cc(Cl)c(cc1NC(=O)CC(=NNC(=O)OC(C)(C)C)C)OC
InChI=1SC17H24ClN3O5c110(202116(23)2617(23)4)715(22)1912913(245)11(18)814(12)256h89H7H216H3(H1922)(H2123)b2010+
MFCD00752337
tertbutyl(2E)2(4((4chloro25dimethoxyphenyl)amino)4oxobutan2ylidene)hydrazinecarboxylate
tertbutylN((E)(4(4chloro25dimethoxyanilino)4oxobutan2ylidene)amino)carbamate
ZINC000018173440
ZINC101938046

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Available files

Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.