Vitas-M small molecule compound
2-{[4-methyl-5-(4-nitrophenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-1-(4-nitrophenyl)ethanone
Catalog ID
STK119510
SMILES O=C(c1ccc(cc1)[N+](=O)[O-])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 C17H13N5O5S MW 399.39 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H13N5O5S/c1-20-16(12-4-8-14(9-5-12)22(26)27)18-19-17(20)28-10-15(23)11-2-6-13(7-3-11)21(24)25/h2-9H,10H2,1H3InChIKey
DXSABRZLYQJQAU-UHFFFAOYSA-NSynonyms
2((4METHYL5(4NITROPHENYL)124TRIAZOL3YL)SULFANYL)1(4NITROPHENYL)ETHANONE
2((4METHYL5(4NITROPHENYL)4H124TRIAZOL3YL)SULFANYL)1(4NITROPHENYL)ETHANONE
CN1C(=NN=C1SCC(=O)C2=CC=C(C=C2)(N+)(=O)(O))C3=CC=C(C=C3)(N+)(=O)(O)
InChI=1SC17H13N5O5Sc12016(124814(9512)22(26)27)181917(20)281015(23)112613(7311)21(24)25h29H10H21H3
MFCD03878307
O=C(c1ccc(cc1)(N+)(=O)(O))CSc1nnc(n1C)c1ccc(cc1)(N+)(=O)(O)
ZINC000009805597
ZINC09805597
ZINC9805597
Check stock
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