Vitas-M small molecule compound

7-(4-chlorophenyl)-2-oxo-1,3-benzoxathiol-5-yl 4-nitrobenzoate

Catalog ID
STK515635
SMILES Clc1ccc(cc1)c1cc(OC(=O)c2ccc(cc2)[N+](=O)[O-])cc2c1oc(=O)s2

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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 C20H10ClNO6S MW 427.82 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H10ClNO6S/c21-13-5-1-11(2-6-13)16-9-15(10-17-18(16)28-20(24)29-17)27-19(23)12-3-7-14(8-4-12)22(25)26/h1-10H
InChIKey
ATQYBRFNSBZMDG-UHFFFAOYSA-N
Synonyms

(7(4chlorophenyl)2oxo13benzoxathiol5yl)4nitrobenzoate
7(4chlorophenyl)2oxo13benzoxathiol5yl4nitrobenzoate
C1=CC(=CC=C1C2=CC(=CC3=C2OC(=O)S3)OC(=O)C4=CC=C(C=C4)(N+)(=O)(O))Cl
Clc1ccc(cc1)c1cc(OC(=O)c2ccc(cc2)(N+)(=O)(O))cc2c1oc(=O)s2
InChI=1SC20H10ClNO6Sc21135111(2613)16915(101718(16)2820(24)2917)2719(23)123714(8412)22(25)26h110H
MFCD06645305
ZINC000016741980
ZINC16741980

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Available files

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