Vitas-M small molecule compound

3-[(2-methoxy-5-nitrobenzyl)sulfanyl]-4-methyl-5-[(2-methylphenoxy)methyl]-4H-1,2,4-triazole

Catalog ID
STK154294
SMILES COc1ccc(cc1CSc1nnc(n1C)COc1ccccc1C)[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 C19H20N4O4S MW 400.46 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H20N4O4S/c1-13-6-4-5-7-16(13)27-11-18-20-21-19(22(18)2)28-12-14-10-15(23(24)25)8-9-17(14)26-3/h4-10H,11-12H2,1-3H3
InChIKey
IRIHSIDOOSEACJ-UHFFFAOYSA-N
Synonyms

3((2METHOXY5NITROBENZYL)SULFANYL)4METHYL5((2METHYLPHENOXY)METHYL)4H124TRIAZOLE
3((2METHOXY5NITROPHENYL)METHYLSULFANYL)4METHYL5((2METHYLPHENOXY)METHYL)124TRIAZOLE
CC1=CC=CC=C1OCC2=NN=C(N2C)SCC3=C(C=CC(=C3)(N+)(=O)(O))OC
COc1ccc(cc1CSc1nnc(n1C)COc1ccccc1C)(N+)(=O)(O)
InChI=1SC19H20N4O4Sc113645716(13)271118202119(22(18)2)2812141015(23(24)25)8917(14)263h410H1112H213H3
MFCD03995724
ZINC000001143391
ZINC01143391
ZINC1143391

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Available files

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