Vitas-M small molecule compound

N-[(2E)-5-(3,4-dimethoxybenzyl)-1,3,4-thiadiazol-2(3H)-ylidene]-4-nitrobenzamide

Catalog ID
STL057173
SMILES COc1ccc(cc1OC)Cc1n[nH]/c(=N\C(=O)c2ccc(cc2)[N+](=O)[O-])/s1

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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 C18H16N4O5S MW 400.42 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H16N4O5S/c1-26-14-8-3-11(9-15(14)27-2)10-16-20-21-18(28-16)19-17(23)12-4-6-13(7-5-12)22(24)25/h3-9H,10H2,1-2H3,(H,19,21,23)
InChIKey
YCYCMNVIBRFXQX-UHFFFAOYSA-N
Synonyms
330216-40-5
COc1ccc(cc1OC)Cc1n(nH)c(=NC(=O)c2ccc(cc2)(N+)(=O)(O))s1
MFCD05734510
ZINC000096298259

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Available files

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