Vitas-M small molecule compound

methyl 4-({[(6-{[(E)-(2-hydroxynaphthalen-1-yl)methylidene]amino}-1,3-benzothiazol-2-yl)sulfanyl]acetyl}amino)benzoate

Catalog ID
STK673623
SMILES COC(=O)c1ccc(cc1)NC(=O)CSc1nc2c(s1)cc(cc2)/N=C/c1c(O)ccc2c1cccc2

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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 C28H21N3O4S2 MW 527.62 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H21N3O4S2/c1-35-27(34)18-6-9-19(10-7-18)30-26(33)16-36-28-31-23-12-11-20(14-25(23)37-28)29-15-22-21-5-3-2-4-17(21)8-13-24(22)32/h2-15,32H,16H2,1H3,(H,30,33)/b29-15+
InChIKey
WYOYUQLSYXJNIP-WKULSOCRSA-N
Synonyms

COC(=O)c1ccc(cc1)NC(=O)CSc1nc2c(s1)cc(cc2)N=Cc1c(O)ccc2c1cccc2
methyl4((((6(((E)(2hydroxynaphthalen1yl)methylidene)amino)13benzothiazol2yl)sulfanyl)acetyl)amino)benzoate
MFCD01230414
ZINC000003664095

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Available files

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