Vitas-M small molecule compound
2-[(3-methylbenzyl)amino]-2-oxoethyl 3-cyanobenzoate
Catalog ID
STL195142
SMILES N#Cc1cccc(c1)C(=O)OCC(=O)NCc1cccc(c1)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 C18H16N2O3 MW 308.34 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H16N2O3/c1-13-4-2-6-15(8-13)11-20-17(21)12-23-18(22)16-7-3-5-14(9-16)10-19/h2-9H,11-12H2,1H3,(H,20,21)InChIKey
XDUZUBSGSKINNN-UHFFFAOYSA-NSynonyms
(2((3methylphenyl)methylamino)2oxoethyl)3cyanobenzoate
2((3methylbenzyl)amino)2oxoethyl3cyanobenzoate
CC1=CC(=CC=C1)CNC(=O)COC(=O)C2=CC=CC(=C2)C#N
InChI=1SC18H16N2O3c11342615(813)112017(21)122318(22)1673514(916)1019h29H1112H21H3(H2021)
MFCD22391631
ZINC000072333953
ZINC72333953
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