Vitas-M small molecule compound

1-(4-bromophenyl)-2-{[5-(7-methoxy-1-benzofuran-2-yl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}ethanone

Catalog ID
STK130022
SMILES C=CCn1c(SCC(=O)c2ccc(cc2)Br)nnc1c1cc2c(o1)c(OC)ccc2

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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 C22H18BrN3O3S MW 484.37 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H18BrN3O3S/c1-3-11-26-21(19-12-15-5-4-6-18(28-2)20(15)29-19)24-25-22(26)30-13-17(27)14-7-9-16(23)10-8-14/h3-10,12H,1,11,13H2,2H3
InChIKey
QUJOQIBJTDLTLH-UHFFFAOYSA-N
Synonyms

1(4BROMOPHENYL)2((5(7METHOXY1BENZOFURAN2YL)4(PROP2EN1YL)4H124TRIAZOL3YL)SULFANYL)ETHANONE
1(4BROMOPHENYL)2((5(7METHOXY1BENZOFURAN2YL)4PROP2ENYL124TRIAZOL3YL)SULFANYL)ETHANONE
COC1=CC=CC2=C1OC(=C2)C3=NN=C(N3CC=C)SCC(=O)C4=CC=C(C=C4)Br
InChI=1SC22H18BrN3O3Sc13112621(19121554618(282)20(15)2919)242522(26)301317(27)147916(23)10814h31012H11113H22H3
MFCD04392992
ZINC000001122755
ZINC01122755
ZINC1122755

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Available files

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