Vitas-M small molecule compound
5-(5-bromo-2-chlorophenyl)-4-(tetrahydrofuran-2-ylmethyl)-4H-1,2,4-triazole-3-thiol
Catalog ID
STK448401
SMILES Brc1ccc(c(c1)c1nnc(n1CC1CCCO1)S)Cl
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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 C13H13BrClN3OS MW 374.69 g/mol Purity >90% as per NMR
InChI
InChI=1S/C13H13BrClN3OS/c14-8-3-4-11(15)10(6-8)12-16-17-13(20)18(12)7-9-2-1-5-19-9/h3-4,6,9H,1-2,5,7H2,(H,17,20)InChIKey
NGPCNXNRYDSDPO-UHFFFAOYSA-NSynonyms
3(5bromo2chlorophenyl)4(oxolan2ylmethyl)1H124triazole5thione
5(5BROMO2CHLOROPHENYL)4(OXOLAN2YLMETHYL)124TRIAZOLE3THIOL
5(5bromo2chlorophenyl)4(tetrahydrofuran2ylmethyl)4H124triazole3thiol
C1CC(OC1)CN2C(=NNC2=S)C3=C(C=CC(=C3)Br)Cl
InChI=1SC13H13BrClN3OSc1483411(15)10(68)12161713(20)18(12)79215199h3469H1257H2(H1720)
MFCD04141146
ZINC000017076704
ZINC000017076705
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