Vitas-M small molecule compound
6-methyl-4-[4-(prop-2-en-1-yl)-5-sulfanyl-4H-1,2,4-triazol-3-yl]heptan-2-ol
Catalog ID
STK097543
SMILES C=CCn1c(S)nnc1C(CC(O)C)CC(C)C
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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 C13H23N3OS MW 269.41 g/mol Purity >90% as per NMR
InChI
InChI=1S/C13H23N3OS/c1-5-6-16-12(14-15-13(16)18)11(7-9(2)3)8-10(4)17/h5,9-11,17H,1,6-8H2,2-4H3,(H,15,18)InChIKey
LEGLSVUVSHFHNC-UHFFFAOYSA-NSynonyms
3(2HYDROXY6METHYLHEPTAN4YL)4PROP2ENYL1H124TRIAZOLE5THIONE
4(4ALLYL5MERCAPTO4H(124)TRIAZOL3YL)6METHYLHEPTAN2OL
4(4allyl5mercapto4H124triazol3yl)6methylheptan2ol
5(3HYDROXY1(2METHYLPROPYL)BUTYL)4PROP2EN1YL24DIHYDRO3H124TRIAZOLE3THIONE
6METHYL4(4(PROP2EN1YL)5SULFANYL4H124TRIAZOL3YL)HEPTAN2OL
C=CCn1c(S)nnc1C(CC(O)C)CC(C)C
CC(C)CC(CC(C)O)C1=NNC(=S)N1CC=C
InChI=1SC13H23N3OSc1561612(141513(16)18)11(79(2)3)810(4)17h591117H168H224H3(H1518)
MFCD02855519
STK097543
ZINC000005817342
ZINC000005817359
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