Vitas-M small molecule compound
1-{[5-(4-tert-butylphenyl)-4-(4-methoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-3,3-dimethylbutan-2-one
Catalog ID
STK083341
SMILES COc1ccc(cc1)n1c(SCC(=O)C(C)(C)C)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 C25H31N3O2S MW 437.61 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H31N3O2S/c1-24(2,3)18-10-8-17(9-11-18)22-26-27-23(31-16-21(29)25(4,5)6)28(22)19-12-14-20(30-7)15-13-19/h8-15H,16H2,1-7H3InChIKey
ZRDZBAQJHZCETH-UHFFFAOYSA-NSynonyms
499102-94-21((5(4(tertbutyl)phenyl)4(4methoxyphenyl)4H124triazol3yl)thio)33dimethylbutan2one
1((5(4TERTBUTYLPHENYL)4(4METHOXYPHENYL)124TRIAZOL3YL)SULFANYL)33DIMETHYLBUTAN2ONE
1((5(4TERTBUTYLPHENYL)4(4METHOXYPHENYL)4H124TRIAZOL3YL)SULFANYL)33DIMETHYLBUTAN2ONE
499102942
CC(C)(C)C1=CC=C(C=C1)C2=NN=C(N2C3=CC=C(C=C3)OC)SCC(=O)C(C)(C)C
COc1ccc(cc1)n1c(SCC(=O)C(C)(C)C)nnc1c1ccc(cc1)C(C)(C)C
InChI=1SC25H31N3O2Sc124(23)1810817(91118)22262723(311621(29)25(45)6)28(22)19121420(307)151319h815H16H217H3
MFCD03223946
STK083341
ZINC000002363110
ZINC02363110
ZINC2363110
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