Vitas-M small molecule compound

tert-butyl (2E)-2-(4-{[2-(3,4-dimethoxyphenyl)ethyl]amino}-4-oxobutan-2-ylidene)hydrazinecarboxylate

Catalog ID
STK330940
SMILES COc1cc(CCNC(=O)C/C(=N/NC(=O)OC(C)(C)C)/C)ccc1OC

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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 C19H29N3O5 MW 379.46 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H29N3O5/c1-13(21-22-18(24)27-19(2,3)4)11-17(23)20-10-9-14-7-8-15(25-5)16(12-14)26-6/h7-8,12H,9-11H2,1-6H3,(H,20,23)(H,22,24)/b21-13+
InChIKey
QDGFYHUVXQTNJR-FYJGNVAPSA-N
Synonyms

CC(=NNC(=O)OC(C)(C)C)CC(=O)NCCC1=CC(=C(C=C1)OC)OC
COc1cc(CCNC(=O)CC(=NNC(=O)OC(C)(C)C)C)ccc1OC
InChI=1SC19H29N3O5c113(212218(24)2719(23)4)1117(23)20109147815(255)16(1214)266h7812H911H216H3(H2023)(H2224)b2113+
MFCD00752758
tertbutyl(2E)2(4((2(34dimethoxyphenyl)ethyl)amino)4oxobutan2ylidene)hydrazinecarboxylate
tertbutylN((E)(4(2(34dimethoxyphenyl)ethylamino)4oxobutan2ylidene)amino)carbamate
ZINC000100796023
ZINC102038354

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Available files

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