Vitas-M small molecule compound
5-(5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)-4-(tetrahydrofuran-2-ylmethyl)-4H-1,2,4-triazole-3-thiol
Catalog ID
STK448295
SMILES Sc1nnc(n1CC1CCCO1)c1cc2c(s1)CCCCC2
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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 C16H21N3OS2 MW 335.49 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H21N3OS2/c21-16-18-17-15(19(16)10-12-6-4-8-20-12)14-9-11-5-2-1-3-7-13(11)22-14/h9,12H,1-8,10H2,(H,18,21)InChIKey
UQSAGFXYWRQWMC-UHFFFAOYSA-NSynonyms
4(oxolan2ylmethyl)3(5678tetrahydro4Hcyclohepta(b)thiophen2yl)1H124triazole5thione
5(5678tetrahydro4Hcyclohepta(b)thiophen2yl)4(tetrahydrofuran2ylmethyl)4H124triazole3thiol
C1CCC2=C(CC1)SC(=C2)C3=NNC(=S)N3CC4CCCO4
InChI=1SC16H21N3OS2c2116181715(19(16)10126482012)149115213713(11)2214h912H1810H2(H1821)
MFCD04139925
ZINC000006925615
ZINC000006925616
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