Vitas-M small molecule compound
2-[(4-methyl-5-phenyl-4H-1,2,4-triazol-3-yl)sulfanyl]-1-(4-nitrophenyl)ethanone
Catalog ID
STK122121
SMILES O=C(c1ccc(cc1)[N+](=O)[O-])CSc1nnc(n1C)c1ccccc1
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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 C17H14N4O3S MW 354.39 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H14N4O3S/c1-20-16(13-5-3-2-4-6-13)18-19-17(20)25-11-15(22)12-7-9-14(10-8-12)21(23)24/h2-10H,11H2,1H3InChIKey
PLWSXSTWCPFHCI-UHFFFAOYSA-NSynonyms
754235-55-72((4METHYL5PHENYL124TRIAZOL3YL)SULFANYL)1(4NITROPHENYL)ETHANONE
2((4METHYL5PHENYL4H124TRIAZOL3YL)SULFANYL)1(4NITROPHENYL)ETHANONE
754235557
CN1C(=NN=C1SCC(=O)C2=CC=C(C=C2)(N+)(=O)(O))C3=CC=CC=C3
InChI=1SC17H14N4O3Sc12016(135324613)181917(20)251115(22)127914(10812)21(23)24h210H11H21H3
MFCD03878305
O=C(c1ccc(cc1)(N+)(=O)(O))CSc1nnc(n1C)c1ccccc1
ZINC000002645892
ZINC02645892
ZINC2645892
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