Vitas-M small molecule compound

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

Catalog ID
STK147485
SMILES Cn1c(nnc1COc1ccccc1C)SCc1ccc(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 C18H18N4O3S MW 370.43 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H18N4O3S/c1-13-5-3-4-6-16(13)25-11-17-19-20-18(21(17)2)26-12-14-7-9-15(10-8-14)22(23)24/h3-10H,11-12H2,1-2H3
InChIKey
YVPVIEQHTDSPTN-UHFFFAOYSA-N
Synonyms

4METHYL3((2METHYLPHENOXY)METHYL)5((4NITROBENZYL)SULFANYL)4H124TRIAZOLE
4METHYL3((2METHYLPHENOXY)METHYL)5((4NITROPHENYL)METHYLSULFANYL)124TRIAZOLE
CC1=CC=CC=C1OCC2=NN=C(N2C)SCC3=CC=C(C=C3)(N+)(=O)(O)
Cn1c(nnc1COc1ccccc1C)SCc1ccc(cc1)(N+)(=O)(O)
InChI=1SC18H18N4O3Sc113534616(13)251117192018(21(17)2)2612147915(10814)22(23)24h310H1112H212H3
MFCD04209506
ZINC000001143058
ZINC01143058
ZINC1143058

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Available files

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