Vitas-M small molecule compound
2-{[4-benzyl-5-(furan-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-1-(4-bromophenyl)ethanone
Catalog ID
STK085111
SMILES Brc1ccc(cc1)C(=O)CSc1nnc(n1Cc1ccccc1)c1ccco1
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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/c22-17-10-8-16(9-11-17)18(26)14-28-21-24-23-20(19-7-4-12-27-19)25(21)13-15-5-2-1-3-6-15/h1-12H,13-14H2InChIKey
FDLKBKROACSYQJ-UHFFFAOYSA-NSynonyms
2((4BENZYL5(FURAN2YL)124TRIAZOL3YL)SULFANYL)1(4BROMOPHENYL)ETHANONE
2((4BENZYL5(FURAN2YL)4H124TRIAZOL3YL)SULFANYL)1(4BROMOPHENYL)ETHANONE
Brc1ccc(cc1)C(=O)CSc1nnc(n1Cc1ccccc1)c1ccco1
C1=CC=C(C=C1)CN2C(=NN=C2SCC(=O)C3=CC=C(C=C3)Br)C4=CC=CO4
InChI=1SC21H16BrN3O2Sc221710816(91117)18(26)142821242320(1974122719)25(21)13155213615h112H1314H2
MFCD03657624
STK085111
ZINC000003220164
ZINC03220164
ZINC3220164
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