Vitas-M small molecule compound
2-{[5-(1-benzofuran-2-yl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-1-(4-bromophenyl)ethanone
Catalog ID
STK136611
SMILES C=CCn1c(SCC(=O)c2ccc(cc2)Br)nnc1c1cc2c(o1)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 C21H16BrN3O2S MW 454.35 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H16BrN3O2S/c1-2-11-25-20(19-12-15-5-3-4-6-18(15)27-19)23-24-21(25)28-13-17(26)14-7-9-16(22)10-8-14/h2-10,12H,1,11,13H2InChIKey
REEXXKYKJNDUPA-UHFFFAOYSA-NSynonyms
2((5(1BENZOFURAN2YL)4(PROP2EN1YL)4H124TRIAZOL3YL)SULFANYL)1(4BROMOPHENYL)ETHANONE
2((5(1BENZOFURAN2YL)4PROP2ENYL124TRIAZOL3YL)SULFANYL)1(4BROMOPHENYL)ETHANONE
2(4ALLYL5BENZOFURAN2YL4H(124)TRIAZOL3YLSULFANYL)1(4BROMOPHENYL)ETHANONE
C=CCN1C(=NN=C1SCC(=O)C2=CC=C(C=C2)Br)C3=CC4=CC=CC=C4O3
InChI=1SC21H16BrN3O2Sc12112520(191215534618(15)2719)232421(25)281317(26)147916(22)10814h21012H11113H2
MFCD06662652
ZINC000001105588
ZINC01105588
ZINC1105588
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