Vitas-M small molecule compound
2-{[4-ethyl-5-(thiophen-2-ylmethyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-1-(4-nitrophenyl)ethanone
Catalog ID
STL026175
SMILES CCn1c(SCC(=O)c2ccc(cc2)[N+](=O)[O-])nnc1Cc1cccs1
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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 C17H16N4O3S2 MW 388.47 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H16N4O3S2/c1-2-20-16(10-14-4-3-9-25-14)18-19-17(20)26-11-15(22)12-5-7-13(8-6-12)21(23)24/h3-9H,2,10-11H2,1H3InChIKey
MGOGLGHGOQXIEB-UHFFFAOYSA-NSynonyms
879449-08-82((4ETHYL5(THIOPHEN2YLMETHYL)124TRIAZOL3YL)SULFANYL)1(4NITROPHENYL)ETHANONE
2((4ethyl5(thiophen2ylmethyl)4H124triazol3yl)sulfanyl)1(4nitrophenyl)ethanone
2((4ethyl5(thiophen2ylmethyl)4H124triazol3yl)thio)1(4nitrophenyl)ethanone
879449088
CCN1C(=NN=C1SCC(=O)C2=CC=C(C=C2)(N+)(=O)(O))CC3=CC=CS3
CCn1c(SCC(=O)c2ccc(cc2)(N+)(=O)(O))nnc1Cc1cccs1
InChI=1SC17H16N4O3S2c122016(10144392514)181917(20)261115(22)125713(8612)21(23)24h39H21011H21H3
MFCD06593355
ZINC000002442265
ZINC02442265
ZINC2442265
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