Vitas-M small molecule compound

methyl 2-{[(1Z)-2-cyano-3-(cyclohexylamino)-3-oxoprop-1-en-1-yl]amino}benzoate

Catalog ID
STK715981
SMILES N#C/C(=C/Nc1ccccc1C(=O)OC)/C(=O)NC1CCCCC1

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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 C18H21N3O3 MW 327.38 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H21N3O3/c1-24-18(23)15-9-5-6-10-16(15)20-12-13(11-19)17(22)21-14-7-3-2-4-8-14/h5-6,9-10,12,14,20H,2-4,7-8H2,1H3,(H,21,22)/b13-12-
InChIKey
AGRYTVBMTMUJAR-SEYXRHQNSA-N
Synonyms

(E)methyl2((2cyano3(cyclohexylamino)3oxoprop1en1yl)amino)benzoate
COC(=O)C1=CC=CC=C1NC=C(C#N)C(=O)NC2CCCCC2
InChI=1SC18H21N3O3c12418(23)159561016(15)201213(1119)17(22)21147324814h56910121420H2478H21H3(H2122)b1312
methyl2(((1Z)2cyano3(cyclohexylamino)3oxoprop1en1yl)amino)benzoate
methyl2(((Z)2cyano3(cyclohexylamino)3oxoprop1enyl)amino)benzoate
MFCD08166873
ZINC000011692039
ZINC11692039

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Available files

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