Vitas-M small molecule compound
2-(4H-1,2,4-triazol-3-ylsulfanyl)-1-(2,4,6-trimethylphenyl)ethanone
Catalog ID
STK927354
SMILES O=C(c1c(C)cc(cc1C)C)CSc1[nH]cnn1
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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 C13H15N3OS MW 261.35 g/mol Purity >90% as per NMR
InChI
InChI=1S/C13H15N3OS/c1-8-4-9(2)12(10(3)5-8)11(17)6-18-13-14-7-15-16-13/h4-5,7H,6H2,1-3H3,(H,14,15,16)InChIKey
UNEUWZATLKMDRJ-UHFFFAOYSA-NSynonyms
2(1H124TRIAZOL5YLSULFANYL)1(246TRIMETHYLPHENYL)ETHANONE
2(4H124triazol3ylsulfanyl)1(246trimethylphenyl)ethanone
CC1=CC(=C(C(=C1)C)C(=O)CSC2=NC=NN2)C
InChI=1SC13H15N3OSc1849(2)12(10(3)58)11(17)61813147151613h457H6H213H3(H141516)
MFCD02366396
O=C(c1c(C)cc(cc1C)C)CSc1(nH)cnn1
ZINC000005730313
ZINC05730313
ZINC5730313
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