Vitas-M small molecule compound

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

Catalog ID
STL042419
SMILES Cc1ccc(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 C24H22N4O3S MW 446.53 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H22N4O3S/c1-17-3-9-20(10-4-17)27-23(15-31-22-13-5-18(2)6-14-22)25-26-24(27)32-16-19-7-11-21(12-8-19)28(29)30/h3-14H,15-16H2,1-2H3
InChIKey
VJYRYPLKPYSBOX-UHFFFAOYSA-N
Synonyms
879450-96-1
3((4methylphenoxy)methyl)4(4methylphenyl)5((4nitrobenzyl)sulfanyl)4H124triazole
3((4METHYLPHENOXY)METHYL)4(4METHYLPHENYL)5((4NITROPHENYL)METHYLSULFANYL)124TRIAZOLE
3((4nitrobenzyl)thio)4(ptolyl)5((ptolyloxy)methyl)4H124triazole
3(4METHYLPHENOXYMETHYL)4(4METHYLPHENYL)5(((4NITROPHENYL)METHYL)SULFANYL)4H124TRIAZOLE
4METHYL1((4(4METHYLPHENYL)5((4NITROPHENYL)METHYLTHIO)(124TRIAZOL3YL))METHOXY)BENZENE
879450961
CC1=CC=C(C=C1)N2C(=NN=C2SCC3=CC=C(C=C3)(N+)(=O)(O))COC4=CC=C(C=C4)C
Cc1ccc(cc1)n1c(nnc1COc1ccc(cc1)C)SCc1ccc(cc1)(N+)(=O)(O)
InChI=1SC24H22N4O3Sc1173920(10417)2723(15312213518(2)61422)252624(27)32161971121(12819)28(29)30h314H1516H212H3
MFCD06592942
ZINC000002440051
ZINC02440051
ZINC2440051

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Available files

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