Vitas-M small molecule compound
ethyl 2-{[(E)-(3-methoxy-1-benzothiophen-2-yl)methylidene]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Catalog ID
STK536833
SMILES CCOC(=O)c1c(/N=C/c2sc3c(c2OC)cccc3)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 C21H21NO3S2 MW 399.53 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H21NO3S2/c1-3-25-21(23)18-13-8-4-6-10-15(13)27-20(18)22-12-17-19(24-2)14-9-5-7-11-16(14)26-17/h5,7,9,11-12H,3-4,6,8,10H2,1-2H3/b22-12+InChIKey
XJAJLLZSVKGEFV-WSDLNYQXSA-NSynonyms
372500-76-0(E)ethyl2(((3methoxybenzo(b)thiophen2yl)methylene)amino)4567tetrahydrobenzo(b)thiophene3carboxylate
372500760
CCOC(=O)C1=C(SC2=C1CCCC2)N=CC3=C(C4=CC=CC=C4S3)OC
CCOC(=O)c1c(N=Cc2sc3c(c2OC)cccc3)sc2c1CCCC2
ethyl2(((E)(3methoxy1benzothiophen2yl)methylidene)amino)4567tetrahydro1benzothiophene3carboxylate
ethyl2((E)(3methoxy1benzothiophen2yl)methylideneamino)4567tetrahydro1benzothiophene3carboxylate
InChI=1SC21H21NO3S2c132521(23)18138461015(13)2720(18)22121719(242)149571116(14)2617h5791112H346810H212H3b2212+
MFCD01943959
ZINC000002277521
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