Vitas-M small molecule compound

2,2'-{[4,4'-di(prop-2-en-1-yl)-4H,4'H-3,3'-bi-1,2,4-triazole-5,5'-diyl]disulfanediyl}bis[1-(4-chlorophenyl)ethanone]

Catalog ID
STK542345
SMILES C=CCn1c(SCC(=O)c2ccc(cc2)Cl)nnc1c1nnc(n1CC=C)SCC(=O)c1ccc(cc1)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 C26H22Cl2N6O2S2 MW 585.54 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H22Cl2N6O2S2/c1-3-13-33-23(29-31-25(33)37-15-21(35)17-5-9-19(27)10-6-17)24-30-32-26(34(24)14-4-2)38-16-22(36)18-7-11-20(28)12-8-18/h3-12H,1-2,13-16H2
InChIKey
YEMZLGIJAQJUIT-UHFFFAOYSA-N
Synonyms
452089-35-9
1(4CHLOROPHENYL)2((5(5(2(4CHLOROPHENYL)2OXOETHYL)SULFANYL4PROP2ENYL124TRIAZOL3YL)4PROP2ENYL124TRIAZOL3YL)SULFANYL)ETHANONE
1(4CHLOROPHENYL)2(5(5(2(4CHLOROPHENYL)2OXOETHYLTHIO)4PROP2ENYL(124TRIAZOL3YL))4PROP2ENYL(124TRIAZOL3YLTHIO))ETHAN1ONE
22((44di(prop2en1yl)4H4H33bi124triazole55diyl)disulfanediyl)bis(1(4chlorophenyl)ethanone)
22((44DIALLYL4H4H(33BI(124TRIAZOLE))55DIYL)BIS(SULFANEDIYL))BIS(1(4CHLOROPHENYL)ETHANONE)
452089359
C=CCN1C(=NN=C1SCC(=O)C2=CC=C(C=C2)Cl)C3=NN=C(N3CC=C)SCC(=O)C4=CC=C(C=C4)Cl
InChI=1SC26H22Cl2N6O2S2c13133323(293125(33)371521(35)175919(27)10617)24303226(34(24)1442)381622(36)1871120(28)12818h312H121316H2
MFCD03212535
ZINC000097986410
ZINC97986410

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Available files

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