Vitas-M small molecule compound
4-({[5-(4-tert-butylphenyl)-4-(4-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)benzonitrile
Catalog ID
STL348537
SMILES N#Cc1ccc(cc1)CSc1nnc(n1c1ccc(cc1)C)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 C27H26N4S MW 438.60 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H26N4S/c1-19-5-15-24(16-6-19)31-25(22-11-13-23(14-12-22)27(2,3)4)29-30-26(31)32-18-21-9-7-20(17-28)8-10-21/h5-16H,18H2,1-4H3InChIKey
BWSSZCYWHAYZLQ-UHFFFAOYSA-NSynonyms
736147-97-04(((5(4(tertbutyl)phenyl)4(ptolyl)4H124triazol3yl)thio)methyl)benzonitrile
4(((5(4tertbutylphenyl)4(4methylphenyl)4H124triazol3yl)sulfanyl)methyl)benzonitrile
4((5(4TERTBUTYLPHENYL)4(4METHYLPHENYL)124TRIAZOL3YL)SULFANYLMETHYL)BENZONITRILE
736147970
CC1=CC=C(C=C1)N2C(=NN=C2SCC3=CC=C(C=C3)C#N)C4=CC=C(C=C4)C(C)(C)C
InChI=1SC27H26N4Sc11951524(16619)3125(22111323(141222)27(23)4)293026(31)3218219720(1728)81021h516H18H214H3
MFCD04606825
ZINC000003323497
ZINC03323497
ZINC3323497
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