Vitas-M small molecule compound
[3-(4-ethylpyridinium-1-yl)-1,4-dioxo-1,4-dihydronaphthalen-2-yl](phenylsulfonyl)azanide
Catalog ID
STK990918
SMILES CCc1cc[n+](cc1)C1=C([N-]S(=O)(=O)c2ccccc2)C(=O)c2c(C1=O)cccc2
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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 C23H18N2O4S MW 418.47 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H18N2O4S/c1-2-16-12-14-25(15-13-16)21-20(24-30(28,29)17-8-4-3-5-9-17)22(26)18-10-6-7-11-19(18)23(21)27/h3-15H,2H2,1H3InChIKey
QJMSIOBUQDKSSD-UHFFFAOYSA-NSynonyms
(3(4ethylpyridinium1yl)14dioxo14dihydronaphthalen2yl)(phenylsulfonyl)azanide
(3Z)3(benzenesulfonylimino)2(4ethylpyridin1ium1yl)4oxonaphthalen1olate
CCC1=CC=(N+)(C=C1)C2=C(C3=CC=CC=C3C(=O)C2=NS(=O)(=O)C4=CC=CC=C4)(O)
CCc1cc(n+)(cc1)C1=C((N)S(=O)(=O)c2ccccc2)C(=O)c2c(C1=O)cccc2
InChI=1SC23H18N2O4Sc1216121425(151316)2120(2430(2829)178435917)22(26)1810671119(18)23(21)27h315H2H21H3
MFCD08166823
ZINC000011691977
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