Vitas-M small molecule compound

2,2'-{(1,2-dihydroxyethane-1,2-diyl)bis[(4-phenyl-4H-1,2,4-triazole-5,3-diyl)sulfanediyl]}bis(N-phenylacetamide)

Catalog ID
STK663603
SMILES O=C(Nc1ccccc1)CSc1nnc(n1c1ccccc1)C(C(c1nnc(n1c1ccccc1)SCC(=O)Nc1ccccc1)O)O

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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 C34H30N8O4S2 MW 678.80 g/mol Purity >90% as per NMR
InChI
InChI=1S/C34H30N8O4S2/c43-27(35-23-13-5-1-6-14-23)21-47-33-39-37-31(41(33)25-17-9-3-10-18-25)29(45)30(46)32-38-40-34(42(32)26-19-11-4-12-20-26)48-22-28(44)36-24-15-7-2-8-16-24/h1-20,29-30,45-46H,21-22H2,(H,35,43)(H,36,44)
InChIKey
WZIRHVMMLIROQW-UHFFFAOYSA-N
Synonyms

2((5(2(5(2ANILINO2OXOETHYL)SULFANYL4PHENYL124TRIAZOL3YL)12DIHYDROXYETHYL)4PHENYL124TRIAZOL3YL)SULFANYL)NPHENYLACETAMIDE
2(5(12DIHYDROXY2(4PHENYL5((NPHENYLCARBAMOYL)METHYLTHIO)(124TRIAZOL3YL))ETHYL)4PHENYL(124TRIAZOL3YLTHIO))NPHENYLACETAMIDE
22((12dihydroxyethane12diyl)bis((4phenyl4H124triazole53diyl)sulfanediyl))bis(Nphenylacetamide)
C1=CC=C(C=C1)NC(=O)CSC2=NN=C(N2C3=CC=CC=C3)C(C(C4=NN=C(N4C5=CC=CC=C5)SCC(=O)NC6=CC=CC=C6)O)O
InChI=1SC34H30N8O4S2c4327(3523135161423)214733393731(41(33)251793101825)29(45)30(46)32384034(42(32)2619114122026)482228(44)3624157281624h12029304546H2122H2(H3543)(H3644)
MFCD02039543
ZINC000029748649
ZINC000029748653

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Available files

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