Vitas-M small molecule compound
2-{[4-methyl-5-(4-nitrophenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-1-phenylethanone
Catalog ID
STK154216
SMILES O=C(c1ccccc1)CSc1nnc(n1C)c1ccc(cc1)[N+](=O)[O-]
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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(13-7-9-14(10-8-13)21(23)24)18-19-17(20)25-11-15(22)12-5-3-2-4-6-12/h2-10H,11H2,1H3InChIKey
PWIVEAIROVLHMI-UHFFFAOYSA-NSynonyms
2((4METHYL5(4NITROPHENYL)124TRIAZOL3YL)SULFANYL)1PHENYLETHANONE
2((4METHYL5(4NITROPHENYL)4H124TRIAZOL3YL)SULFANYL)1PHENYLETHANONE
CN1C(=NN=C1SCC(=O)C2=CC=CC=C2)C3=CC=C(C=C3)(N+)(=O)(O)
InChI=1SC17H14N4O3Sc12016(137914(10813)21(23)24)181917(20)251115(22)125324612h210H11H21H3
MFCD02589476
O=C(c1ccccc1)CSc1nnc(n1C)c1ccc(cc1)(N+)(=O)(O)
ZINC000000862158
ZINC00862158
ZINC862158
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