Vitas-M small molecule compound
2-methyl-4-[4-(prop-2-en-1-yl)-5-sulfanyl-4H-1,2,4-triazol-3-yl]hexan-2-ol
Catalog ID
STK699076
SMILES C=CCn1c(S)nnc1C(CC(O)(C)C)CC
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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 C12H21N3OS MW 255.38 g/mol Purity >90% as per NMR
InChI
InChI=1S/C12H21N3OS/c1-5-7-15-10(13-14-11(15)17)9(6-2)8-12(3,4)16/h5,9,16H,1,6-8H2,2-4H3,(H,14,17)InChIKey
XTNUQFPJPWKBNJ-UHFFFAOYSA-NSynonyms
309270-77-72methyl4(4(prop2en1yl)5sulfanyl4H124triazol3yl)hexan2ol
3(5HYDROXY5METHYLHEXAN3YL)4PROP2ENYL1H124TRIAZOLE5THIONE
4(4ALLYL5MERCAPTO4H(124)TRIAZOL3YL)2METHYLHEXAN2OL
4(4allyl5mercapto4H124triazol3yl)2methylhexan2ol
CCC(CC(C)(C)O)C1=NNC(=S)N1CC=C
InChI=1SC12H21N3OSc1571510(131411(15)17)9(62)812(34)16h5916H168H224H3(H1417)
MFCD01655012
ZINC000001256226
ZINC000001256227
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