Vitas-M small molecule compound
2-({(E)-[5-(4-chloro-3-nitrophenyl)furan-2-yl]methylidene}amino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonitrile
Catalog ID
STK753944
SMILES N#Cc1c(/N=C/c2ccc(o2)c2ccc(c(c2)[N+](=O)[O-])Cl)sc2c1CCCC2
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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 C20H14ClN3O3S MW 411.87 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H14ClN3O3S/c21-16-7-5-12(9-17(16)24(25)26)18-8-6-13(27-18)11-23-20-15(10-22)14-3-1-2-4-19(14)28-20/h5-9,11H,1-4H2/b23-11+InChIKey
GQRAOXUAJGOMLH-FOKLQQMPSA-NSynonyms
2(((E)(5(4chloro3nitrophenyl)furan2yl)methylidene)amino)4567tetrahydro1benzothiophene3carbonitrile
2((E)(5(4chloro3nitrophenyl)furan2yl)methylideneamino)4567tetrahydro1benzothiophene3carbonitrile
C1CCC2=C(C1)C(=C(S2)N=CC3=CC=C(O3)C4=CC(=C(C=C4)Cl)(N+)(=O)(O))C#N
InChI=1SC20H14ClN3O3Sc21167512(917(16)24(25)26)188613(2718)11232015(1022)14312419(14)2820h5911H14H2b2311+
MFCD00501917
N#Cc1c(N=Cc2ccc(o2)c2ccc(c(c2)(N+)(=O)(O))Cl)sc2c1CCCC2
ZINC000002186748
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