Vitas-M small molecule compound

2,2'-{methanediylbis[(4-phenyl-4H-1,2,4-triazole-5,3-diyl)sulfanediyl]}bis[1-(2,4-dichlorophenyl)ethanone]

Catalog ID
STK807003
SMILES Clc1ccc(c(c1)Cl)C(=O)CSc1nnc(n1c1ccccc1)Cc1nnc(n1c1ccccc1)SCC(=O)c1ccc(cc1Cl)Cl

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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 C33H22Cl4N6O2S2 MW 740.52 g/mol Purity >90% as per NMR
InChI
InChI=1S/C33H22Cl4N6O2S2/c34-20-11-13-24(26(36)15-20)28(44)18-46-32-40-38-30(42(32)22-7-3-1-4-8-22)17-31-39-41-33(43(31)23-9-5-2-6-10-23)47-19-29(45)25-14-12-21(35)16-27(25)37/h1-16H,17-19H2
InChIKey
FMNPODKJTIUPBU-UHFFFAOYSA-N
Synonyms

1(24DICHLOROPHENYL)2((5((5(2(24DICHLOROPHENYL)2OXOETHYL)SULFANYL4PHENYL124TRIAZOL3YL)METHYL)4PHENYL124TRIAZOL3YL)SULFANYL)ETHANONE
1(24DICHLOROPHENYL)2(5((5(2(24DICHLOROPHENYL)2OXOETHYLTHIO)4PHENYL(124TRIAZOL3YL))METHYL)4PHENYL(124TRIAZOL3YLTHIO))ETHAN1ONE
22(methanediylbis((4phenyl4H124triazole53diyl)sulfanediyl))bis(1(24dichlorophenyl)ethanone)
C1=CC=C(C=C1)N2C(=NN=C2SCC(=O)C3=C(C=C(C=C3)Cl)Cl)CC4=NN=C(N4C5=CC=CC=C5)SCC(=O)C6=C(C=C(C=C6)Cl)Cl
InChI=1SC33H22Cl4N6O2S2c3420111324(26(36)1520)28(44)184632403830(42(32)227314822)1731394133(43(31)2395261023)471929(45)25141221(35)1627(25)37h116H1719H2
MFCD03621114
ZINC000097986475
ZINC97986475

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Available files

Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.