Vitas-M small molecule compound
3-[(3-bromobenzyl)sulfanyl]-4-methyl-5-(4-nitrophenyl)-4H-1,2,4-triazole
Catalog ID
STK119678
SMILES Brc1cccc(c1)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 C16H13BrN4O2S MW 405.27 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H13BrN4O2S/c1-20-15(12-5-7-14(8-6-12)21(22)23)18-19-16(20)24-10-11-3-2-4-13(17)9-11/h2-9H,10H2,1H3InChIKey
GICMHRGYBKBUOX-UHFFFAOYSA-NSynonyms
3((3BROMOBENZYL)SULFANYL)4METHYL5(4NITROPHENYL)4H124TRIAZOLE
3((3BROMOPHENYL)METHYLSULFANYL)4METHYL5(4NITROPHENYL)124TRIAZOLE
Brc1cccc(c1)CSc1nnc(n1C)c1ccc(cc1)(N+)(=O)(O)
CN1C(=NN=C1SCC2=CC(=CC=C2)Br)C3=CC=C(C=C3)(N+)(=O)(O)
InChI=1SC16H13BrN4O2Sc12015(125714(8612)21(22)23)181916(20)24101132413(17)911h29H10H21H3
MFCD03877002
ZINC000004691487
ZINC04691487
ZINC4691487
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