Vitas-M small molecule compound
5-{5-[(4-bromophenoxy)methyl]furan-2-yl}-4-butyl-4H-1,2,4-triazole-3-thiol
Catalog ID
STL173862
SMILES CCCCn1c(S)nnc1c1ccc(o1)COc1ccc(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 C17H18BrN3O2S MW 408.32 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H18BrN3O2S/c1-2-3-10-21-16(19-20-17(21)24)15-9-8-14(23-15)11-22-13-6-4-12(18)5-7-13/h4-9H,2-3,10-11H2,1H3,(H,20,24)InChIKey
VQEVYYVLSZOOFR-UHFFFAOYSA-NSynonyms
828286-16-43(5((4BROMOPHENOXY)METHYL)FURAN2YL)4BUTYL1H124TRIAZOLE5THIONE
5(5((4bromophenoxy)methyl)furan2yl)4butyl4H124triazole3thiol
828286164
CCCCN1C(=NNC1=S)C2=CC=C(O2)COC3=CC=C(C=C3)Br
InChI=1SC17H18BrN3O2Sc123102116(192017(21)24)159814(2315)1122136412(18)5713h49H231011H21H3(H2024)
MFCD04056535
ZINC000002792212
ZINC02792212
ZINC2792212
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