Vitas-M small molecule compound

3-{2-[(2-chlorophenyl)amino]-2-oxoethyl}-4,7-dimethyl-2-oxo-2H-chromen-5-yl acetate

Catalog ID
STK619619
SMILES O=C(Cc1c(=O)oc2c(c1C)c(OC(=O)C)cc(c2)C)Nc1ccccc1Cl

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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 C21H18ClNO5 MW 399.83 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H18ClNO5/c1-11-8-17(27-13(3)24)20-12(2)14(21(26)28-18(20)9-11)10-19(25)23-16-7-5-4-6-15(16)22/h4-9H,10H2,1-3H3,(H,23,25)
InChIKey
SPCXXYZVIQVPCW-UHFFFAOYSA-N
Synonyms
920422-95-3
(3(2(2chloroanilino)2oxoethyl)47dimethyl2oxochromen5yl)acetate
3(2((2chlorophenyl)amino)2oxoethyl)47dimethyl2oxo2Hchromen5ylacetate
920422953
CC1=CC2=C(C(=C(C(=O)O2)CC(=O)NC3=CC=CC=C3Cl)C)C(=C1)OC(=O)C
InChI=1SC21H18ClNO5c111817(2713(3)24)2012(2)14(21(26)2818(20)911)1019(25)2316754615(16)22h49H10H213H3(H2325)
MFCD08745674
ZINC000009184297
ZINC09184297
ZINC9184297

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Available files

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