Vitas-M small molecule compound

methyl 2-chloro-5-{[(2-oxobenzo[cd]indol-1(2H)-yl)acetyl]amino}benzoate

Catalog ID
STL086828
SMILES COC(=O)c1cc(ccc1Cl)NC(=O)Cn1c(=O)c2c3c1cccc3ccc2

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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 C21H15ClN2O4 MW 394.81 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H15ClN2O4/c1-28-21(27)15-10-13(8-9-16(15)22)23-18(25)11-24-17-7-3-5-12-4-2-6-14(19(12)17)20(24)26/h2-10H,11H2,1H3,(H,23,25)
InChIKey
GUKKCDWNSKLAAJ-UHFFFAOYSA-N
Synonyms

COC(=O)C1=C(C=CC(=C1)NC(=O)CN2C3=CC=CC4=C3C(=CC=C4)C2=O)Cl
InChI=1SC21H15ClN2O4c12821(27)151013(8916(15)22)2318(25)1124177351242614(19(12)17)20(24)26h210H11H21H3(H2325)
methyl2chloro5(((2oxobenzo(cd)indol1(2H)yl)acetyl)amino)benzoate
methyl2chloro5((2(2oxobenzo(cd)indol1yl)acetyl)amino)benzoate
MFCD04371933
ZINC000000810729
ZINC00810729
ZINC810729

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Available files

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