Vitas-M small molecule compound
(2Z)-2-[4-(2,4-dinitrophenoxy)benzylidene]-1-benzothiophen-3(2H)-one
Catalog ID
STK758539
SMILES [O-][N+](=O)c1cc(ccc1Oc1ccc(cc1)/C=C/1\Sc2c(C1=O)cccc2)[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 C21H12N2O6S MW 420.40 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H12N2O6S/c24-21-16-3-1-2-4-19(16)30-20(21)11-13-5-8-15(9-6-13)29-18-10-7-14(22(25)26)12-17(18)23(27)28/h1-12H/b20-11-InChIKey
CXAOGIXDVASSPK-JAIQZWGSSA-NSynonyms
(2Z)2((4(24DINITROPHENOXY)PHENYL)METHYLIDENE)1BENZOTHIOPHEN3ONE
(2Z)2(4(24dinitrophenoxy)benzylidene)1benzothiophen3(2H)one
(O)(N+)(=O)c1cc(ccc1Oc1ccc(cc1)C=C1Sc2c(C1=O)cccc2)(N+)(=O)(O)
2((4(24DINITROPHENOXY)PHENYL)METHYLENE)BENZO(B)THIOPHEN3ONE
2(4(24BISNITROPHENOXY)BENZYLIDENE)1BENZOTHIOPHEN3(2H)ONE
2(4(24DINITROPHENOXY)BENZYLIDENE)BENZO(B)THIOPHEN3ONE
C1=CC=C2C(=C1)C(=O)C(=CC3=CC=C(C=C3)OC4=C(C=C(C=C4)(N+)(=O)(O))(N+)(=O)(O))S2
InChI=1SC21H12N2O6Sc242116312419(16)3020(21)11135815(9613)291810714(22(25)26)1217(18)23(27)28h112Hb2011
MFCD00615144
ZINC000002068758
ZINC02068758
ZINC2068758
Check stock
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Check stock on Vitas-MAvailable files
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