Vitas-M small molecule compound
7-(4-chlorophenyl)-2-oxo-1,3-benzoxathiol-5-yl 2-nitrobenzoate
Catalog ID
STK516238
SMILES Clc1ccc(cc1)c1cc(OC(=O)c2ccccc2[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/c21-12-7-5-11(6-8-12)15-9-13(10-17-18(15)28-20(24)29-17)27-19(23)14-3-1-2-4-16(14)22(25)26/h1-10HInChIKey
PNDOHZPAHILBIW-UHFFFAOYSA-NSynonyms
(7(4chlorophenyl)2oxo13benzoxathiol5yl)2nitrobenzoate
7(4chlorophenyl)2oxo13benzoxathiol5yl2nitrobenzoate
C1=CC=C(C(=C1)C(=O)OC2=CC3=C(C(=C2)C4=CC=C(C=C4)Cl)OC(=O)S3)(N+)(=O)(O)
Clc1ccc(cc1)c1cc(OC(=O)c2ccccc2(N+)(=O)(O))cc2c1oc(=O)s2
InChI=1SC20H10ClNO6Sc21127511(6812)15913(101718(15)2820(24)2917)2719(23)14312416(14)22(25)26h110H
MFCD06645565
ZINC000016742249
ZINC16742249
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