Vitas-M small molecule compound

7-methyl-4-[4-(prop-2-en-1-yl)-5-sulfanyl-4H-1,2,4-triazol-3-yl]octan-2-ol

Catalog ID
STK099530
SMILES C=CCn1c(S)nnc1C(CC(O)C)CCC(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 C14H25N3OS MW 283.44 g/mol Purity >90% as per NMR
InChI
InChI=1S/C14H25N3OS/c1-5-8-17-13(15-16-14(17)19)12(9-11(4)18)7-6-10(2)3/h5,10-12,18H,1,6-9H2,2-4H3,(H,16,19)
InChIKey
WIXCHPJNAUNGIL-UHFFFAOYSA-N
Synonyms
355822-16-1
3(2HYDROXY7METHYLOCTAN4YL)4PROP2ENYL1H124TRIAZOLE5THIONE
4(4allyl5mercapto4H124triazol3yl)7methyloctan2ol
5((2R4R)2HYDROXY7METHYLOCTAN4YL)4(PROP2EN1YL)24DIHYDRO3H124TRIAZOLE3THIONE
5((2S4S)2HYDROXY7METHYLOCTAN4YL)4(PROP2EN1YL)24DIHYDRO3H124TRIAZOLE3THIONE
5(2HYDROXY7METHYLOCTAN4YL)4(PROP2EN1YL)24DIHYDRO3H124TRIAZOLE3THIONE
7METHYL4(4(PROP2EN1YL)5SULFANYL4H124TRIAZOL3YL)OCTAN2OL
7METHYL4(4PROP2ENYL5SULFANYL(124TRIAZOL3YL))OCTAN2OL
C=CCn1c(S)nnc1C(CC(O)C)CCC(C)C
CC(C)CCC(CC(C)O)C1=NNC(=S)N1CC=C
InChI=1SC14H25N3OSc1581713(151614(17)19)12(911(4)18)7610(2)3h5101218H169H224H3(H1619)
MFCD02187598
STK099530
ZINC000002299828

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Available files

Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.