Vitas-M small molecule compound

ethyl (5Z)-5-(naphthalen-1-ylimino)-4-(4-nitrophenyl)-4,5-dihydro-1,3,4-thiadiazole-2-carboxylate

Catalog ID
STK754727
SMILES CCOC(=O)c1nn(/c(=N/c2cccc3c2cccc3)/s1)c1ccc(cc1)[N+](=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 C21H16N4O4S MW 420.45 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H16N4O4S/c1-2-29-20(26)19-23-24(15-10-12-16(13-11-15)25(27)28)21(30-19)22-18-9-5-7-14-6-3-4-8-17(14)18/h3-13H,2H2,1H3/b22-21-
InChIKey
MFZSXKLVZZRZOK-DQRAZIAOSA-N
Synonyms

CCOC(=O)c1nn(c(=Nc2cccc3c2cccc3)s1)c1ccc(cc1)(N+)(=O)(O)
ethyl(5Z)5(naphthalen1ylimino)4(4nitrophenyl)45dihydro134thiadiazole2carboxylate
MFCD00762143
ZINC000000858984

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Available files

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