Vitas-M small molecule compound
5-(3-methyl-1-benzofuran-2-yl)-4-(tetrahydrofuran-2-ylmethyl)-4H-1,2,4-triazole-3-thiol
Catalog ID
STK448326
SMILES Cc1c2ccccc2oc1c1nnc(n1CC1CCCO1)S
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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 C16H17N3O2S MW 315.40 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H17N3O2S/c1-10-12-6-2-3-7-13(12)21-14(10)15-17-18-16(22)19(15)9-11-5-4-8-20-11/h2-3,6-7,11H,4-5,8-9H2,1H3,(H,18,22)InChIKey
HXYHJKVOWPIGBJ-UHFFFAOYSA-NSynonyms
3(3methyl1benzofuran2yl)4(oxolan2ylmethyl)1H124triazole5thione
5(3methyl1benzofuran2yl)4(tetrahydrofuran2ylmethyl)4H124triazole3thiol
5(3METHYLBENZO(D)FURAN2YL)4(OXOLAN2YLMETHYL)124TRIAZOLE3THIOL
CC1=C(OC2=CC=CC=C12)C3=NNC(=S)N3CC4CCCO4
InChI=1SC16H17N3O2Sc11012623713(12)2114(10)15171816(22)19(15)9115482011h236711H4589H21H3(H1822)
MFCD04140453
ZINC000006921955
ZINC000006921956
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