Vitas-M small molecule compound

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

Catalog ID
STK097567
SMILES COc1ccc(cc1)n1c(SCC(=O)c2ccc3c(c2)cccc3)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 C31H29N3O2S MW 507.66 g/mol Purity >90% as per NMR
InChI
InChI=1S/C31H29N3O2S/c1-31(2,3)25-13-11-22(12-14-25)29-32-33-30(34(29)26-15-17-27(36-4)18-16-26)37-20-28(35)24-10-9-21-7-5-6-8-23(21)19-24/h5-19H,20H2,1-4H3
InChIKey
QPFKSLVNEJHNLJ-UHFFFAOYSA-N
Synonyms
499103-49-0
2((5(4(tertbutyl)phenyl)4(4methoxyphenyl)4H124triazol3yl)thio)1(naphthalen2yl)ethanone
2((5(4TERTBUTYLPHENYL)4(4METHOXYPHENYL)124TRIAZOL3YL)SULFANYL)1NAPHTHALEN2YLETHANONE
2((5(4TERTBUTYLPHENYL)4(4METHOXYPHENYL)4H124TRIAZOL3YL)SULFANYL)1(NAPHTHALEN2YL)ETHAN1ONE
2((5(4TERTBUTYLPHENYL)4(4METHOXYPHENYL)4H124TRIAZOL3YL)SULFANYL)1(NAPHTHALEN2YL)ETHANONE
2(5(4(TERTBUTYL)PHENYL)4(4METHOXYPHENYL)(124TRIAZOL3YLTHIO))1(2NAPHTHYL)ETHAN1ONE
499103490
CC(C)(C)C1=CC=C(C=C1)C2=NN=C(N2C3=CC=C(C=C3)OC)SCC(=O)C4=CC5=CC=CC=C5C=C4
COc1ccc(cc1)n1c(SCC(=O)c2ccc3c(c2)cccc3)nnc1c1ccc(cc1)C(C)(C)C
InChI=1SC31H29N3O2Sc131(23)25131122(121425)29323330(34(29)26151727(364)181626)372028(35)2410921756823(21)1924h519H20H214H3
MFCD03224035
STK097567
ZINC000001761100
ZINC01761100
ZINC1761100

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Available files

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