Vitas-M small molecule compound

4-({[5-(4-tert-butylphenyl)-4-(4-methoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)benzonitrile

Catalog ID
STK043417
SMILES COc1ccc(cc1)n1c(SCc2ccc(cc2)C#N)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 C27H26N4OS MW 454.60 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H26N4OS/c1-27(2,3)22-11-9-21(10-12-22)25-29-30-26(31(25)23-13-15-24(32-4)16-14-23)33-18-20-7-5-19(17-28)6-8-20/h5-16H,18H2,1-4H3
InChIKey
VVAQNPBAIDFJQI-UHFFFAOYSA-N
Synonyms
499103-27-4
4(((5(4(tertbutyl)phenyl)4(4methoxyphenyl)4H124triazol3yl)thio)methyl)benzonitrile
4(((5(4TERTBUTYLPHENYL)4(4METHOXYPHENYL)4H124TRIAZOL3YL)SULFANYL)METHYL)BENZONITRILE
4((5(4(TERTBUTYL)PHENYL)4(4METHOXYPHENYL)124TRIAZOL3YLTHIO)METHYL)BENZENECARBONITRILE
4((5(4TERTBUTYLPHENYL)4(4METHOXYPHENYL)124TRIAZOL3YL)SULFANYLMETHYL)BENZONITRILE
499103274
CC(C)(C)C1=CC=C(C=C1)C2=NN=C(N2C3=CC=C(C=C3)OC)SCC4=CC=C(C=C4)C#N
COc1ccc(cc1)n1c(SCc2ccc(cc2)C#N)nnc1c1ccc(cc1)C(C)(C)C
InChI=1SC27H26N4OSc127(23)2211921(101222)25293026(31(25)23131524(324)161423)3318207519(1728)6820h516H18H214H3
MFCD03474083
STK043417
ZINC000002233294
ZINC02233294
ZINC2233294

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Available files

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