Vitas-M small molecule compound

3-benzyl-4-(3-methylphenyl)-5-[(4-nitrobenzyl)sulfanyl]-4H-1,2,4-triazole

Catalog ID
STL375380
SMILES Cc1cccc(c1)n1c(SCc2ccc(cc2)[N+](=O)[O-])nnc1Cc1ccccc1

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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 C23H20N4O2S MW 416.50 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H20N4O2S/c1-17-6-5-9-21(14-17)26-22(15-18-7-3-2-4-8-18)24-25-23(26)30-16-19-10-12-20(13-11-19)27(28)29/h2-14H,15-16H2,1H3
InChIKey
JOMVOKWUUZWSBC-UHFFFAOYSA-N
Synonyms

3benzyl4(3methylphenyl)5((4nitrobenzyl)sulfanyl)4H124triazole
3BENZYL4(3METHYLPHENYL)5((4NITROBENZYL)THIO)4H124TRIAZOLE
3BENZYL4(3METHYLPHENYL)5((4NITROPHENYL)METHYLSULFANYL)124TRIAZOLE
CC1=CC(=CC=C1)N2C(=NN=C2SCC3=CC=C(C=C3)(N+)(=O)(O))CC4=CC=CC=C4
Cc1cccc(c1)n1c(SCc2ccc(cc2)(N+)(=O)(O))nnc1Cc1ccccc1
InChI=1SC23H20N4O2Sc11765921(1417)2622(15187324818)242523(26)301619101220(131119)27(28)29h214H1516H21H3
MFCD04210409
ZINC000002838253
ZINC02838253
ZINC2838253

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Available files

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