Vitas-M small molecule compound
2-[(Z)-(3-oxo-1-benzothiophen-2(3H)-ylidene)methyl]phenyl 2-nitrobenzoate
Catalog ID
STK869452
SMILES [O-][N+](=O)c1ccccc1C(=O)Oc1ccccc1/C=C/1\Sc2c(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 C22H13NO5S MW 403.41 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H13NO5S/c24-21-16-9-3-6-12-19(16)29-20(21)13-14-7-1-5-11-18(14)28-22(25)15-8-2-4-10-17(15)23(26)27/h1-13H/b20-13-InChIKey
MEGQAUGFLBMFLY-MOSHPQCFSA-NSynonyms
327103-86-6(2((Z)(3OXO1BENZOTHIOPHEN2YLIDENE)METHYL)PHENYL)2NITROBENZOATE
(O)(N+)(=O)c1ccccc1C(=O)Oc1ccccc1C=C1Sc2c(C1=O)cccc2
(Z)2((3oxobenzo(b)thiophen2(3H)ylidene)methyl)phenyl2nitrobenzoate
2((Z)(3oxo1benzothiophen2(3H)ylidene)methyl)phenyl2nitrobenzoate
327103866
C1=CC=C(C(=C1)C=C2C(=O)C3=CC=CC=C3S2)OC(=O)C4=CC=CC=C4(N+)(=O)(O)
InChI=1SC22H13NO5Sc2421169361219(16)2920(21)13147151118(14)2822(25)158241017(15)23(26)27h113Hb2013
MFCD01464415
ZINC000012559959
ZINC12559959
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