Vitas-M small molecule compound
4-{[(E)-{4-[(4-bromobenzyl)oxy]-3-methoxyphenyl}methylidene]amino}-5-(7-methoxy-1-benzofuran-2-yl)-4H-1,2,4-triazole-3-thiol
Catalog ID
STK125228
SMILES COc1cc(ccc1OCc1ccc(cc1)Br)/C=N/n1c(S)nnc1c1oc2c(c1)cccc2OC
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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 C26H21BrN4O4S MW 565.45 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H21BrN4O4S/c1-32-21-5-3-4-18-13-23(35-24(18)21)25-29-30-26(36)31(25)28-14-17-8-11-20(22(12-17)33-2)34-15-16-6-9-19(27)10-7-16/h3-14H,15H2,1-2H3,(H,30,36)/b28-14+InChIKey
IVKGKSSBZFIQLF-CCVNUDIWSA-NSynonyms
4(((E)(4((4BROMOBENZYL)OXY)3METHOXYPHENYL)METHYLIDENE)AMINO)5(7METHOXY1BENZOFURAN2YL)4H124TRIAZOLE3THIOL
4((E)(4((4bromophenyl)methoxy)3methoxyphenyl)methylideneamino)3(7methoxy1benzofuran2yl)1H124triazole5thione
COC1=CC=CC2=C1OC(=C2)C3=NNC(=S)N3N=CC4=CC(=C(C=C4)OCC5=CC=C(C=C5)Br)OC
COc1cc(ccc1OCc1ccc(cc1)Br)C=Nn1c(S)nnc1c1oc2c(c1)cccc2OC
InChI=1SC26H21BrN4O4Sc13221534181323(3524(18)21)25293026(36)31(25)28141781120(22(1217)332)3415166919(27)10716h314H15H212H3(H3036)b2814+
MFCD04353620
ZINC000097942995
ZINC101563467
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