Vitas-M small molecule compound
(2E)-2-(2-methoxy-5-nitrobenzylidene)-1-benzothiophen-3(2H)-one
Catalog ID
STK755319
SMILES COc1ccc(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 C16H11NO4S MW 313.33 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H11NO4S/c1-21-13-7-6-11(17(19)20)8-10(13)9-15-16(18)12-4-2-3-5-14(12)22-15/h2-9H,1H3/b15-9+InChIKey
WLJDOAKKLUFTJT-OQLLNIDSSA-NSynonyms
(2E)2((2METHOXY5NITROPHENYL)METHYLIDENE)1BENZOTHIOPHEN3ONE
(2E)2(2METHOXY5NITROBENZYLIDENE)1BENZOTHIOPHEN3(2H)ONE
COC1=C(C=C(C=C1)(N+)(=O)(O))C=C2C(=O)C3=CC=CC=C3S2
COc1ccc(cc1C=C1Sc2c(C1=O)cccc2)(N+)(=O)(O)
InChI=1SC16H11NO4Sc121137611(17(19)20)810(13)91516(18)12423514(12)2215h29H1H3b159+
MFCD00827826
ZINC000000208126
ZINC00208126
ZINC208126
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