Vitas-M small molecule compound
2-{[(E)-(3-bromo-4-methoxyphenyl)methylidene]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonitrile
Catalog ID
STL431223
SMILES COc1ccc(cc1Br)/C=N/c1sc2c(c1C#N)CCCC2
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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 C17H15BrN2OS MW 375.29 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H15BrN2OS/c1-21-15-7-6-11(8-14(15)18)10-20-17-13(9-19)12-4-2-3-5-16(12)22-17/h6-8,10H,2-5H2,1H3/b20-10+InChIKey
QRFCCZCXEAEORV-KEBDBYFISA-NSynonyms
2(((E)(3bromo4methoxyphenyl)methylidene)amino)4567tetrahydro1benzothiophene3carbonitrile
2((E)(3bromo4methoxyphenyl)methylideneamino)4567tetrahydro1benzothiophene3carbonitrile
COC1=C(C=C(C=C1)C=NC2=C(C3=C(S2)CCCC3)C#N)Br
COc1ccc(cc1Br)C=Nc1sc2c(c1C#N)CCCC2
InChI=1SC17H15BrN2OSc121157611(814(15)18)10201713(919)12423516(12)2217h6810H25H21H3b2010+
MFCD00613065
ZINC000001231440
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