Vitas-M small molecule compound

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

Catalog ID
STK715978
SMILES N#C/C(=C/Nc1ccccc1C(=O)OC)/C(=O)NCc1ccco1

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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 C17H15N3O4 MW 325.32 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H15N3O4/c1-23-17(22)14-6-2-3-7-15(14)19-10-12(9-18)16(21)20-11-13-5-4-8-24-13/h2-8,10,19H,11H2,1H3,(H,20,21)/b12-10-
InChIKey
IRQZKELMOSBEFP-BENRWUELSA-N
Synonyms

(E)methyl2((2cyano3((furan2ylmethyl)amino)3oxoprop1en1yl)amino)benzoate
COC(=O)C1=CC=CC=C1NC=C(C#N)C(=O)NCC2=CC=CO2
InChI=1SC17H15N3O4c12317(22)14623715(14)191012(918)16(21)2011135482413h281019H11H21H3(H2021)b1210
methyl2(((1Z)2cyano3((furan2ylmethyl)amino)3oxoprop1en1yl)amino)benzoate
methyl2(((Z)2cyano3(furan2ylmethylamino)3oxoprop1enyl)amino)benzoate
MFCD07793935
N#CC(=CNc1ccccc1C(=O)OC)C(=O)NCc1ccco1
ZINC000102673270
ZINC102673270

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Available files

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