Vitas-M small molecule compound
(2E)-2-{[5-(2,5-dimethyl-4-nitrophenyl)furan-2-yl]methylidene}-1-benzothiophen-3(2H)-one
Catalog ID
STK956860
SMILES Cc1cc([N+](=O)[O-])c(cc1c1ccc(o1)/C=C\1/Sc2c(C1=O)cccc2)C
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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 C21H15NO4S MW 377.42 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H15NO4S/c1-12-10-17(22(24)25)13(2)9-16(12)18-8-7-14(26-18)11-20-21(23)15-5-3-4-6-19(15)27-20/h3-11H,1-2H3/b20-11+InChIKey
UFBJUBPYXAEIBH-RGVLZGJSSA-NSynonyms
330996-19-5(2E)2((5(25dimethyl4nitrophenyl)furan2yl)methylidene)1benzothiophen3(2H)one
(2E)2((5(25DIMETHYL4NITROPHENYL)FURAN2YL)METHYLIDENE)1BENZOTHIOPHEN3ONE
330996195
CC1=CC(=C(C=C1C2=CC=C(O2)C=C3C(=O)C4=CC=CC=C4S3)C)(N+)(=O)(O)
Cc1cc((N+)(=O)(O))c(cc1c1ccc(o1)C=C1Sc2c(C1=O)cccc2)C
InChI=1SC21H15NO4Sc1121017(22(24)25)13(2)916(12)188714(2618)112021(23)15534619(15)2720h311H12H3b2011+
MFCD01095995
ZINC000000809288
ZINC00809288
ZINC809288
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