Vitas-M small molecule compound

2-[(5-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]-1-phenylethanone

Catalog ID
STK216084
SMILES O=C(c1ccccc1)CSc1nnc([nH]1)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 C11H11N3OS MW 233.29 g/mol Purity >90% as per NMR
InChI
InChI=1S/C11H11N3OS/c1-8-12-11(14-13-8)16-7-10(15)9-5-3-2-4-6-9/h2-6H,7H2,1H3,(H,12,13,14)
InChIKey
HPZJBUNBFWPSEH-UHFFFAOYSA-N
Synonyms
5906-74-1
2((5METHYL1H124TRIAZOL3YL)SULFANYL)1PHENYLETHANONE
2((5METHYL4H124TRIAZOL3YL)SULFANYL)1PHENYLETHANONE
2(5METHYL4H(124)TRIAZOL3YLSULFANYL)1PHENYLETHANONE
5906741
CC1=NC(=NN1)SCC(=O)C2=CC=CC=C2
InChI=1SC11H11N3OSc181211(14138)16710(15)9532469h26H7H21H3(H121314)
MFCD00825377
O=C(c1ccccc1)CSc1nnc((nH)1)C
ZINC000018219329
ZINC18219329

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Available files

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