Vitas-M small molecule compound

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

Catalog ID
STK697150
SMILES [O-][N+](=O)c1ccc(cc1)CSc1nnc(n1c1ccccc1)c1ccc(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 C25H24N4O2S MW 444.56 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H24N4O2S/c1-25(2,3)20-13-11-19(12-14-20)23-26-27-24(28(23)21-7-5-4-6-8-21)32-17-18-9-15-22(16-10-18)29(30)31/h4-16H,17H2,1-3H3
InChIKey
DTVHHMSYEYJUFT-UHFFFAOYSA-N
Synonyms
714928-45-7
(O)(N+)(=O)c1ccc(cc1)CSc1nnc(n1c1ccccc1)c1ccc(cc1)C(C)(C)C
3(4(tertbutyl)phenyl)5((4nitrobenzyl)thio)4phenyl4H124triazole
3(4TERTBUTYLPHENYL)5(((4NITROPHENYL)METHYL)SULFANYL)4PHENYL4H124TRIAZOLE
3(4tertbutylphenyl)5((4nitrobenzyl)sulfanyl)4phenyl4H124triazole
3(4TERTBUTYLPHENYL)5((4NITROPHENYL)METHYLSULFANYL)4PHENYL124TRIAZOLE
5(4(TERTBUTYL)PHENYL)3((4NITROPHENYL)METHYLTHIO)4PHENYL124TRIAZOLE
714928457
CC(C)(C)C1=CC=C(C=C1)C2=NN=C(N2C3=CC=CC=C3)SCC4=CC=C(C=C4)(N+)(=O)(O)
InChI=1SC25H24N4O2Sc125(23)20131119(121420)23262724(28(23)217546821)32171891522(161018)29(30)31h416H17H213H3
MFCD05343031
ZINC000001892695
ZINC01892695
ZINC1892695

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Available files

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