Vitas-M small molecule compound
3-[(4-bromobenzyl)sulfanyl]-5-(7-methoxy-1-benzofuran-2-yl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazole
Catalog ID
STK139671
SMILES C=CCn1c(nnc1c1cc2c(o1)c(OC)ccc2)SCc1ccc(cc1)Br
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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 C21H18BrN3O2S MW 456.36 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H18BrN3O2S/c1-3-11-25-20(18-12-15-5-4-6-17(26-2)19(15)27-18)23-24-21(25)28-13-14-7-9-16(22)10-8-14/h3-10,12H,1,11,13H2,2H3InChIKey
HELOLLPUZLOFEY-UHFFFAOYSA-NSynonyms
3((4BROMOBENZYL)SULFANYL)5(7METHOXY1BENZOFURAN2YL)4(PROP2EN1YL)4H124TRIAZOLE
3((4BROMOPHENYL)METHYLSULFANYL)5(7METHOXY1BENZOFURAN2YL)4PROP2ENYL124TRIAZOLE
COC1=CC=CC2=C1OC(=C2)C3=NN=C(N3CC=C)SCC4=CC=C(C=C4)Br
InChI=1SC21H18BrN3O2Sc13112520(18121554617(262)19(15)2718)232421(25)2813147916(22)10814h31012H11113H22H3
MFCD06662644
ZINC000001107611
ZINC01107611
ZINC1107611
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