Vitas-M small molecule compound

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

Catalog ID
STK005017
SMILES COc1ccc(cc1)n1c(SCc2ccc(cc2)[N+](=O)[O-])nnc1c1ccc(cc1)C(C)(C)C

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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 C26H26N4O3S MW 474.58 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H26N4O3S/c1-26(2,3)20-9-7-19(8-10-20)24-27-28-25(29(24)21-13-15-23(33-4)16-14-21)34-17-18-5-11-22(12-6-18)30(31)32/h5-16H,17H2,1-4H3
InChIKey
OPDJUONHEHVLKP-UHFFFAOYSA-N
Synonyms
499103-19-4
1(5(4(TERTBUTYL)PHENYL)3((4NITROPHENYL)METHYLTHIO)(124TRIAZOL4YL))4METHOXYBENZENE
3(4(tertbutyl)phenyl)4(4methoxyphenyl)5((4nitrobenzyl)thio)4H124triazole
3(4TERTBUTYLPHENYL)4(4METHOXYPHENYL)5(((4NITROPHENYL)METHYL)SULFANYL)4H124TRIAZOLE
3(4TERTBUTYLPHENYL)4(4METHOXYPHENYL)5((4NITROBENZYL)SULFANYL)4H124TRIAZOLE
3(4TERTBUTYLPHENYL)4(4METHOXYPHENYL)5((4NITROPHENYL)METHYLSULFANYL)124TRIAZOLE
499103194
CC(C)(C)C1=CC=C(C=C1)C2=NN=C(N2C3=CC=C(C=C3)OC)SCC4=CC=C(C=C4)(N+)(=O)(O)
COc1ccc(cc1)n1c(SCc2ccc(cc2)(N+)(=O)(O))nnc1c1ccc(cc1)C(C)(C)C
InChI=1SC26H26N4O3Sc126(23)209719(81020)24272825(29(24)21131523(334)161421)34171851122(12618)30(31)32h516H17H214H3
MFCD03224003
STK005017
ZINC000001798142
ZINC01798142
ZINC1798142

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Available files

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