Vitas-M small molecule compound
2-methoxy-4-[(Z)-(3-oxo-1-benzothiophen-2(3H)-ylidene)methyl]phenyl 3,4-dinitrobenzenesulfonate
Catalog ID
STK728431
SMILES COc1cc(ccc1OS(=O)(=O)c1ccc(c(c1)[N+](=O)[O-])[N+](=O)[O-])/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 C22H14N2O9S2 MW 514.49 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H14N2O9S2/c1-32-19-10-13(11-21-22(25)15-4-2-3-5-20(15)34-21)6-9-18(19)33-35(30,31)14-7-8-16(23(26)27)17(12-14)24(28)29/h2-12H,1H3/b21-11-InChIKey
MDZFLTGUBPQTPQ-NHDPSOOVSA-NSynonyms
(2METHOXY4((Z)(3OXO1BENZOTHIOPHEN2YLIDENE)METHYL)PHENYL)34DINITROBENZENESULFONATE
(Z)2methoxy4((3oxobenzo(b)thiophen2(3H)ylidene)methyl)phenyl34dinitrobenzenesulfonate
2methoxy4((Z)(3oxo1benzothiophen2(3H)ylidene)methyl)phenyl34dinitrobenzenesulfonate
COC1=C(C=CC(=C1)C=C2C(=O)C3=CC=CC=C3S2)OS(=O)(=O)C4=CC(=C(C=C4)(N+)(=O)(O))(N+)(=O)(O)
COc1cc(ccc1OS(=O)(=O)c1ccc(c(c1)(N+)(=O)(O))(N+)(=O)(O))C=C1Sc2c(C1=O)cccc2
InChI=1SC22H14N2O9S2c132191013(112122(25)15423520(15)3421)6918(19)3335(3031)147816(23(26)27)17(1214)24(28)29h212H1H3b2111
MFCD02152924
ZINC000100165279
ZINC100165279
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