Vitas-M small molecule compound
2-{[5-(4-tert-butylphenyl)-4-(4-methoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-1-(3,4-dichlorophenyl)ethanone
Catalog ID
STK557349
SMILES COc1ccc(cc1)n1c(SCC(=O)c2ccc(c(c2)Cl)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 C27H25Cl2N3O2S MW 526.49 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H25Cl2N3O2S/c1-27(2,3)19-8-5-17(6-9-19)25-30-31-26(32(25)20-10-12-21(34-4)13-11-20)35-16-24(33)18-7-14-22(28)23(29)15-18/h5-15H,16H2,1-4H3InChIKey
SYBFMVGJPXUGOP-UHFFFAOYSA-NSynonyms
578752-11-11(34DICHLOROPHENYL)2(5(4(TERTBUTYL)PHENYL)4(4METHOXYPHENYL)(124TRIAZOL3YLTHIO))ETHAN1ONE
2((5(4(TERTBUTYL)PHENYL)4(4METHOXYPHENYL)4H124TRIAZOL3YL)THIO)1(34DICHLOROPHENYL)ETHANONE
2((5(4TERTBUTYLPHENYL)4(4METHOXYPHENYL)124TRIAZOL3YL)SULFANYL)1(34DICHLOROPHENYL)ETHANONE
2((5(4TERTBUTYLPHENYL)4(4METHOXYPHENYL)4H124TRIAZOL3YL)SULFANYL)1(34DICHLOROPHENYL)ETHAN1ONE
2((5(4tertbutylphenyl)4(4methoxyphenyl)4H124triazol3yl)sulfanyl)1(34dichlorophenyl)ethanone
578752111
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)Cl
InChI=1SC27H25Cl2N3O2Sc127(23)198517(6919)25303126(32(25)20101221(344)131120)351624(33)1871422(28)23(29)1518h515H16H214H3
MFCD03474090
ZINC000002370561
ZINC2370561
Check stock
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Check stock on Vitas-MAvailable files
Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.