Vitas-M small molecule compound

2-{[1-(2,5-dimethylphenyl)-1H-tetrazol-5-yl]sulfanyl}-1-(4-ethylphenyl)ethanone

Catalog ID
STK533704
SMILES CCc1ccc(cc1)C(=O)CSc1nnnn1c1cc(C)ccc1C

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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 C19H20N4OS MW 352.46 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H20N4OS/c1-4-15-7-9-16(10-8-15)18(24)12-25-19-20-21-22-23(19)17-11-13(2)5-6-14(17)3/h5-11H,4,12H2,1-3H3
InChIKey
MJHBIGHSRKJKMV-UHFFFAOYSA-N
Synonyms

2((1(25dimethylphenyl)1Htetrazol5yl)sulfanyl)1(4ethylphenyl)ethanone
2((1(25dimethylphenyl)1Htetrazol5yl)thio)1(4ethylphenyl)ethanone
2(1(25DIMETHYLPHENYL)TETRAZOL5YL)SULFANYL1(4ETHYLPHENYL)ETHANONE
CCC1=CC=C(C=C1)C(=O)CSC2=NN=NN2C3=C(C=CC(=C3)C)C
InChI=1SC19H20N4OSc14157916(10815)18(24)12251920212223(19)171113(2)5614(17)3h511H412H213H3
MFCD02252913
ZINC000000625861
ZINC00625861
ZINC625861

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Available files

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