Vitas-M small molecule compound

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

Catalog ID
STK586893
SMILES COc1ccc(cc1)n1c(SCC(=O)c2ccc(cc2)Cl)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 C27H26ClN3O2S MW 492.04 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H26ClN3O2S/c1-27(2,3)20-9-5-19(6-10-20)25-29-30-26(31(25)22-13-15-23(33-4)16-14-22)34-17-24(32)18-7-11-21(28)12-8-18/h5-16H,17H2,1-4H3
InChIKey
ARSWPOPNHVHVQJ-UHFFFAOYSA-N
Synonyms
585553-89-5
2((5(4(TERTBUTYL)PHENYL)4(4METHOXYPHENYL)4H124TRIAZOL3YL)THIO)1(4CHLOROPHENYL)ETHANONE
2((5(4TERTBUTYLPHENYL)4(4METHOXYPHENYL)124TRIAZOL3YL)SULFANYL)1(4CHLOROPHENYL)ETHANONE
2((5(4tertbutylphenyl)4(4methoxyphenyl)4H124triazol3yl)sulfanyl)1(4chlorophenyl)ethanone
2(5(4(TERTBUTYL)PHENYL)4(4METHOXYPHENYL)(124TRIAZOL3YLTHIO))1(4CHLOROPHENYL)ETHAN1ONE
585553895
CC(C)(C)C1=CC=C(C=C1)C2=NN=C(N2C3=CC=C(C=C3)OC)SCC(=O)C4=CC=C(C=C4)Cl
InChI=1SC27H26ClN3O2Sc127(23)209519(61020)25293026(31(25)22131523(334)161422)341724(32)1871121(28)12818h516H17H214H3
MFCD03474129
ZINC000002508596
ZINC02508596
ZINC2508596

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Available files

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