Vitas-M small molecule compound

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

Catalog ID
STL048794
SMILES Clc1ccc(cc1)n1c(nnc1COc1ccc(cc1)C)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 C23H19ClN4O3S MW 466.95 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H19ClN4O3S/c1-16-2-12-21(13-3-16)31-14-22-25-26-23(27(22)19-10-6-18(24)7-11-19)32-15-17-4-8-20(9-5-17)28(29)30/h2-13H,14-15H2,1H3
InChIKey
PEGKYYIHELDFLA-UHFFFAOYSA-N
Synonyms
880096-06-0
1((4(4CHLOROPHENYL)5((4NITROPHENYL)METHYLTHIO)(124TRIAZOL3YL))METHOXY)4METHYLBENZENE
4(4chlorophenyl)3((4methylphenoxy)methyl)5((4nitrobenzyl)sulfanyl)4H124triazole
4(4CHLOROPHENYL)3((4METHYLPHENOXY)METHYL)5((4NITROPHENYL)METHYLSULFANYL)124TRIAZOLE
4(4chlorophenyl)3((4nitrobenzyl)thio)5((ptolyloxy)methyl)4H124triazole
4(4CHLOROPHENYL)3(4METHYLPHENOXYMETHYL)5(((4NITROPHENYL)METHYL)SULFANYL)4H124TRIAZOLE
880096060
CC1=CC=C(C=C1)OCC2=NN=C(N2C3=CC=C(C=C3)Cl)SCC4=CC=C(C=C4)(N+)(=O)(O)
Clc1ccc(cc1)n1c(nnc1COc1ccc(cc1)C)SCc1ccc(cc1)(N+)(=O)(O)
InChI=1SC23H19ClN4O3Sc11621221(13316)311422252623(27(22)1910618(24)71119)3215174820(9517)28(29)30h213H1415H21H3
MFCD06603867
ZINC000002241313
ZINC02241313
ZINC2241313

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Available files

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