Vitas-M small molecule compound

6-chloro-3-(3,4-dimethylphenyl)-2H-1,3-benzoxazine-2,4(3H)-dione

Catalog ID
STK166949
SMILES Clc1ccc2c(c1)c(=O)n(c(=O)o2)c1ccc(c(c1)C)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 C16H12ClNO3 MW 301.73 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H12ClNO3/c1-9-3-5-12(7-10(9)2)18-15(19)13-8-11(17)4-6-14(13)21-16(18)20/h3-8H,1-2H3
InChIKey
UWTXSOSFZGHGMQ-UHFFFAOYSA-N
Synonyms

3(34DIMETHYLPHENYL)6CHLOROBENZO(E)13OXAZAPERHYDROINE24DIONE
6CHLORO3(34DIMETHYLPHENYL)13BENZOXAZINE24DIONE
6CHLORO3(34DIMETHYLPHENYL)2H13BENZOXAZINE24(3H)DIONE
CC1=C(C=C(C=C1)N2C(=O)C3=C(C=CC(=C3)Cl)OC2=O)C
InChI=1SC16H12ClNO3c193512(710(9)2)1815(19)13811(17)4614(13)2116(18)20h38H12H3
MFCD03872050
ZINC000004702733
ZINC04702733
ZINC4702733

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Available files

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