Vitas-M small molecule compound

2-{(E)-[2-({[4-(4-chlorophenyl)-5-(4-methoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetyl)hydrazinylidene]methyl}-5-(diethylammonio)phenolate

Catalog ID
STK565639
SMILES COc1ccc(cc1)c1nnc(n1c1ccc(cc1)Cl)SCC(=O)N/N=C/c1ccc(cc1[O-])[NH+](CC)CC

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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 C28H29ClN6O3S MW 565.10 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H29ClN6O3S/c1-4-34(5-2)23-11-6-20(25(36)16-23)17-30-31-26(37)18-39-28-33-32-27(19-7-14-24(38-3)15-8-19)35(28)22-12-9-21(29)10-13-22/h6-17,36H,4-5,18H2,1-3H3,(H,31,37)/b30-17+
InChIKey
ZOGIMHGAMNLNLP-OCSSWDANSA-N
Synonyms

COc1ccc(cc1)c1nnc(n1c1ccc(cc1)Cl)SCC(=O)NN=Cc1ccc(cc1(O))(NH+)(CC)CC
MFCD02712531
ZINC000002584106

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Available files

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