Vitas-M small molecule compound
2-[(4-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]-N-(4-nitrophenyl)butanamide
Catalog ID
STK125859
SMILES CCC(C(=O)Nc1ccc(cc1)[N+](=O)[O-])Sc1nncn1C
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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 C13H15N5O3S MW 321.36 g/mol Purity >90% as per NMR
InChI
InChI=1S/C13H15N5O3S/c1-3-11(22-13-16-14-8-17(13)2)12(19)15-9-4-6-10(7-5-9)18(20)21/h4-8,11H,3H2,1-2H3,(H,15,19)InChIKey
LYUBOOLQGFKVPV-UHFFFAOYSA-NSynonyms
361193-17-12((4METHYL124TRIAZOL3YL)SULFANYL)N(4NITROPHENYL)BUTANAMIDE
2((4METHYL4H124TRIAZOL3YL)SULFANYL)N(4NITROPHENYL)BUTANAMIDE
361193171
CCC(C(=O)NC1=CC=C(C=C1)(N+)(=O)(O))SC2=NN=CN2C
CCC(C(=O)Nc1ccc(cc1)(N+)(=O)(O))Sc1nncn1C
InChI=1SC13H15N5O3Sc1311(22131614817(13)2)12(19)1594610(759)18(20)21h4811H3H212H3(H1519)
MFCD02221726
ZINC000004094126
ZINC000004094127
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