Vitas-M small molecule compound
7-(4-methoxyphenyl)-2-oxo-1,3-benzoxathiol-5-yl 4-nitrobenzoate
Catalog ID
STK882746
SMILES COc1ccc(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 C21H13NO7S MW 423.40 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H13NO7S/c1-27-15-8-4-12(5-9-15)17-10-16(11-18-19(17)29-21(24)30-18)28-20(23)13-2-6-14(7-3-13)22(25)26/h2-11H,1H3InChIKey
BETDUUQKBOKACV-UHFFFAOYSA-NSynonyms
(7(4methoxyphenyl)2oxo13benzoxathiol5yl)4nitrobenzoate
7(4methoxyphenyl)2oxo13benzoxathiol5yl4nitrobenzoate
COC1=CC=C(C=C1)C2=CC(=CC3=C2OC(=O)S3)OC(=O)C4=CC=C(C=C4)(N+)(=O)(O)
COc1ccc(cc1)c1cc(OC(=O)c2ccc(cc2)(N+)(=O)(O))cc2c1oc(=O)s2
InChI=1SC21H13NO7Sc127158412(5915)171016(111819(17)2921(24)3018)2820(23)132614(7313)22(25)26h211H1H3
MFCD06646399
ZINC000016749850
ZINC16749850
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