Vitas-M small molecule compound
1-(biphenyl-4-yl)-2-{[4-methyl-5-(3,4,5-trimethoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}ethanone
Catalog ID
STK807128
SMILES COc1cc(cc(c1OC)OC)c1nnc(n1C)SCC(=O)c1ccc(cc1)c1ccccc1
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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 C26H25N3O4S MW 475.57 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H25N3O4S/c1-29-25(20-14-22(31-2)24(33-4)23(15-20)32-3)27-28-26(29)34-16-21(30)19-12-10-18(11-13-19)17-8-6-5-7-9-17/h5-15H,16H2,1-4H3InChIKey
PECSUAHSTGRHIE-UHFFFAOYSA-NSynonyms
1(11BIPHENYL)4YL2((4METHYL5(345TRIMETHOXYPHENYL)4H124TRIAZOL3YL)SULFANYL)ETHANONE
1(biphenyl4yl)2((4methyl5(345trimethoxyphenyl)4H124triazol3yl)sulfanyl)ethanone
2((4METHYL5(345TRIMETHOXYPHENYL)124TRIAZOL3YL)SULFANYL)1(4PHENYLPHENYL)ETHANONE
2(4METHYL5(345TRIMETHOXYPHENYL)(124TRIAZOL3YLTHIO))1(4PHENYLPHENYL)ETHAN1ONE
CN1C(=NN=C1SCC(=O)C2=CC=C(C=C2)C3=CC=CC=C3)C4=CC(=C(C(=C4)OC)OC)OC
InChI=1SC26H25N3O4Sc12925(201422(312)24(334)23(1520)323)272826(29)341621(30)19121018(111319)178657917h515H16H214H3
MFCD03621306
ZINC000000702412
ZINC00702412
ZINC702412
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