Vitas-M small molecule compound
2-({(E)-[3-bromo-5-methoxy-4-(prop-2-en-1-yloxy)phenyl]methylidene}amino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonitrile
Catalog ID
STK199151
SMILES C=CCOc1c(Br)cc(cc1OC)/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 C20H19BrN2O2S MW 431.35 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H19BrN2O2S/c1-3-8-25-19-16(21)9-13(10-17(19)24-2)12-23-20-15(11-22)14-6-4-5-7-18(14)26-20/h3,9-10,12H,1,4-8H2,2H3/b23-12+InChIKey
WJTZZHGBNMLVGF-FSJBWODESA-NSynonyms
2(((E)(3bromo5methoxy4(prop2en1yloxy)phenyl)methylidene)amino)4567tetrahydro1benzothiophene3carbonitrile
2((E)(3bromo5methoxy4prop2enoxyphenyl)methylideneamino)4567tetrahydro1benzothiophene3carbonitrile
C=CCOc1c(Br)cc(cc1OC)C=Nc1sc2c(c1C#N)CCCC2
COC1=C(C(=CC(=C1)C=NC2=C(C3=C(S2)CCCC3)C#N)Br)OCC=C
InChI=1SC20H19BrN2O2Sc138251916(21)913(1017(19)242)12232015(1122)14645718(14)2620h391012H148H22H3b2312+
MFCD03923234
ZINC000009262682
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