Vitas-M small molecule compound
2-oxo-7-phenyl-1,3-benzoxathiol-5-yl (2-nitrophenoxy)acetate
Catalog ID
STK913401
SMILES O=C(Oc1cc2sc(=O)oc2c(c1)c1ccccc1)COc1ccccc1[N+](=O)[O-]
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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/c23-19(12-27-17-9-5-4-8-16(17)22(25)26)28-14-10-15(13-6-2-1-3-7-13)20-18(11-14)30-21(24)29-20/h1-11H,12H2InChIKey
GWCIMKRZGLIZRM-UHFFFAOYSA-NSynonyms
(2oxo7phenyl13benzoxathiol5yl)2(2nitrophenoxy)acetate
2oxo7phenyl13benzoxathiol5yl(2nitrophenoxy)acetate
C1=CC=C(C=C1)C2=CC(=CC3=C2OC(=O)S3)OC(=O)COC4=CC=CC=C4(N+)(=O)(O)
InChI=1SC21H13NO7Sc2319(122717954816(17)22(25)26)28141015(136213713)2018(1114)3021(24)2920h111H12H2
MFCD07428358
O=C(Oc1cc2sc(=O)oc2c(c1)c1ccccc1)COc1ccccc1(N+)(=O)(O)
ZINC000012062589
ZINC12062589
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