Vitas-M small molecule compound
7-(3-methoxyphenyl)-2-oxo-1,3-benzoxathiol-5-yl 4-nitrobenzoate
Catalog ID
STK882997
SMILES COc1cccc(c1)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/c1-27-15-4-2-3-13(9-15)17-10-16(11-18-19(17)29-21(24)30-18)28-20(23)12-5-7-14(8-6-12)22(25)26/h2-11H,1H3InChIKey
DUJLRQAWOZFQSP-UHFFFAOYSA-NSynonyms
(7(3methoxyphenyl)2oxo13benzoxathiol5yl)4nitrobenzoate
7(3methoxyphenyl)2oxo13benzoxathiol5yl4nitrobenzoate
COC1=CC=CC(=C1)C2=CC(=CC3=C2OC(=O)S3)OC(=O)C4=CC=C(C=C4)(N+)(=O)(O)
COc1cccc(c1)c1cc(OC(=O)c2ccc(cc2)(N+)(=O)(O))cc2c1oc(=O)s2
InChI=1SC21H13NO7Sc1271542313(915)171016(111819(17)2921(24)3018)2820(23)125714(8612)22(25)26h211H1H3
MFCD06646576
ZINC000016750175
ZINC16750175
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