Vitas-M small molecule compound
7-(4-methylphenyl)-2-oxo-1,3-benzoxathiol-5-yl 2-nitrobenzoate
Catalog ID
STK516243
SMILES Cc1ccc(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 C21H13NO6S MW 407.40 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H13NO6S/c1-12-6-8-13(9-7-12)16-10-14(11-18-19(16)28-21(24)29-18)27-20(23)15-4-2-3-5-17(15)22(25)26/h2-11H,1H3InChIKey
MGOFZHOXTHTQGX-UHFFFAOYSA-NSynonyms
(7(4methylphenyl)2oxo13benzoxathiol5yl)2nitrobenzoate
7(4methylphenyl)2oxo13benzoxathiol5yl2nitrobenzoate
CC1=CC=C(C=C1)C2=CC(=CC3=C2OC(=O)S3)OC(=O)C4=CC=CC=C4(N+)(=O)(O)
Cc1ccc(cc1)c1cc(OC(=O)c2ccccc2(N+)(=O)(O))cc2c1oc(=O)s2
InChI=1SC21H13NO6Sc1126813(9712)161014(111819(16)2821(24)2918)2720(23)15423517(15)22(25)26h211H1H3
MFCD06645567
ZINC000016742250
ZINC16742250
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