Vitas-M small molecule compound
2-{[4-chloro-3-(methoxycarbonyl)phenyl]amino}-2-oxoethyl 4-cyano-2-fluorobenzoate
Catalog ID
STL376187
SMILES N#Cc1ccc(c(c1)F)C(=O)OCC(=O)Nc1ccc(c(c1)C(=O)OC)Cl
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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 C18H12ClFN2O5 MW 390.75 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H12ClFN2O5/c1-26-17(24)13-7-11(3-5-14(13)19)22-16(23)9-27-18(25)12-4-2-10(8-21)6-15(12)20/h2-7H,9H2,1H3,(H,22,23)InChIKey
CCCYWJZDDQGKGP-UHFFFAOYSA-NSynonyms
(2(4chloro3methoxycarbonylanilino)2oxoethyl)4cyano2fluorobenzoate
2((4chloro3(methoxycarbonyl)phenyl)amino)2oxoethyl4cyano2fluorobenzoate
COC(=O)C1=C(C=CC(=C1)NC(=O)COC(=O)C2=C(C=C(C=C2)C#N)F)Cl
InChI=1SC18H12ClFN2O5c12617(24)13711(3514(13)19)2216(23)92718(25)124210(821)615(12)20h27H9H21H3(H2223)
MFCD04335628
ZINC000008092186
ZINC08092186
ZINC8092186
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