Vitas-M small molecule compound

methyl 5-benzyl-2-{[(E)-(2-hydroxy-5-nitrophenyl)methylidene]amino}-4-methylthiophene-3-carboxylate

Catalog ID
STK063958
SMILES COC(=O)c1c(/N=C/c2cc(ccc2O)[N+](=O)[O-])sc(c1C)Cc1ccccc1

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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 C21H18N2O5S MW 410.45 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H18N2O5S/c1-13-18(10-14-6-4-3-5-7-14)29-20(19(13)21(25)28-2)22-12-15-11-16(23(26)27)8-9-17(15)24/h3-9,11-12,24H,10H2,1-2H3/b22-12+
InChIKey
CUVXVQWVTBMIOO-WSDLNYQXSA-N
Synonyms

COC(=O)c1c(N=Cc2cc(ccc2O)(N+)(=O)(O))sc(c1C)Cc1ccccc1
methyl5benzyl2(((E)(2hydroxy5nitrophenyl)methylidene)amino)4methylthiophene3carboxylate
MFCD01120043
STK063958
ZINC000002133541

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Available files

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