Vitas-M small molecule compound

ethyl 5-({(E)-[(3-methoxyphenyl)amino]methylidene}amino)-1,2,3-thiadiazole-4-carboxylate

Catalog ID
STL437047
SMILES CCOC(=O)c1nnsc1/N=C/Nc1cccc(c1)OC

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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 C13H14N4O3S MW 306.35 g/mol Purity >90% as per NMR
InChI
InChI=1S/C13H14N4O3S/c1-3-20-13(18)11-12(21-17-16-11)15-8-14-9-5-4-6-10(7-9)19-2/h4-8H,3H2,1-2H3,(H,14,15)
InChIKey
BKQMJVHMBAUBHB-UHFFFAOYSA-N
Synonyms

CCOC(=O)C1=C(SN=N1)N=CNC2=CC(=CC=C2)OC
CCOC(=O)c1nnsc1N=CNc1cccc(c1)OC
ETHYL5(((1E)((3METHOXYPHENYL)AMINO)METHYLENE)AMINO)123THIADIAZOLE4CARBOXYLATE
ethyl5(((E)((3methoxyphenyl)amino)methylidene)amino)123thiadiazole4carboxylate
ETHYL5((3METHOXYANILINO)METHYLIDENEAMINO)THIADIAZOLE4CARBOXYLATE
ethyl5((E)(3methoxyanilino)methylideneamino)thiadiazole4carboxylate
InChI=1SC13H14N4O3Sc132013(18)1112(21171611)15814954610(79)192h48H3H212H3(H1415)
MFCD06242386
ZINC000004476506
ZINC4476506

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Available files

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