Vitas-M small molecule compound

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

Catalog ID
STL061460
SMILES COc1ccc(cc1)n1c(SCc2ccc(cc2)[N+](=O)[O-])nnc1c1ccc(cc1)Cl

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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 C22H17ClN4O3S MW 452.92 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H17ClN4O3S/c1-30-20-12-10-18(11-13-20)26-21(16-4-6-17(23)7-5-16)24-25-22(26)31-14-15-2-8-19(9-3-15)27(28)29/h2-13H,14H2,1H3
InChIKey
YJYQXUMNVNNIFO-UHFFFAOYSA-N
Synonyms
716332-61-5
1(5(4CHLOROPHENYL)3((4NITROPHENYL)METHYLTHIO)(124TRIAZOL4YL))4METHOXYBENZENE
3(4CHLOROPHENYL)4(4METHOXYPHENYL)5(((4NITROPHENYL)METHYL)SULFANYL)4H124TRIAZOLE
3(4chlorophenyl)4(4methoxyphenyl)5((4nitrobenzyl)sulfanyl)4H124triazole
3(4chlorophenyl)4(4methoxyphenyl)5((4nitrobenzyl)thio)4H124triazole
3(4CHLOROPHENYL)4(4METHOXYPHENYL)5((4NITROPHENYL)METHYLSULFANYL)124TRIAZOLE
716332615
COC1=CC=C(C=C1)N2C(=NN=C2SCC3=CC=C(C=C3)(N+)(=O)(O))C4=CC=C(C=C4)Cl
COc1ccc(cc1)n1c(SCc2ccc(cc2)(N+)(=O)(O))nnc1c1ccc(cc1)Cl
InChI=1SC22H17ClN4O3Sc13020121018(111320)2621(164617(23)7516)242522(26)3114152819(9315)27(28)29h213H14H21H3
MFCD05525433
ZINC000002448297
ZINC02448297
ZINC2448297

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Available files

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