Vitas-M small molecule compound

8-[(2-chlorophenyl)carbamoyl]tribenzo[b,e,g][1,4]dioxocine-7-carboxylic acid

Catalog ID
STK326972
SMILES O=C(c1cc2oc3ccccc3c3c(oc2cc1C(=O)O)cccc3)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 C26H16ClNO5 MW 457.87 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H16ClNO5/c27-19-9-3-4-10-20(19)28-25(29)17-13-23-24(14-18(17)26(30)31)33-22-12-6-2-8-16(22)15-7-1-5-11-21(15)32-23/h1-14H,(H,28,29)(H,30,31)
InChIKey
NOCCOQGYYGKIGR-UHFFFAOYSA-N
Synonyms
516467-97-3
516467973
8((2chlorophenyl)carbamoyl)tribenzo(beg)(14)dioxocine7carboxylicacid
C1=CC=C2C(=C1)C3=CC=CC=C3OC4=C(O2)C=C(C(=C4)C(=O)O)C(=O)NC5=CC=CC=C5Cl
InChI=1SC26H16ClNO5c27199341020(19)2825(29)17132324(1418(17)26(30)31)33221262816(22)157151121(15)3223h114H(H2829)(H3031)
MFCD03692123
ZINC000002253791
ZINC2253791

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Available files

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