Vitas-M small molecule compound

diethyl 5,5'-[methanediylbis(benzene-4,1-diylcarbamoylimino)]bis(1,2,3-thiadiazole-4-carboxylate)

Catalog ID
STL485501
SMILES CCOC(=O)c1nnsc1NC(=O)Nc1ccc(cc1)Cc1ccc(cc1)NC(=O)Nc1snnc1C(=O)OCC

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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 C25H24N8O6S2 MW 596.65 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H24N8O6S2/c1-3-38-22(34)18-20(40-32-30-18)28-24(36)26-16-9-5-14(6-10-16)13-15-7-11-17(12-8-15)27-25(37)29-21-19(31-33-41-21)23(35)39-4-2/h5-12H,3-4,13H2,1-2H3,(H2,26,28,36)(H2,27,29,37)
InChIKey
JMILYTJKJYXVML-UHFFFAOYSA-N
Synonyms

CCOC(=O)C1=C(SN=N1)NC(=O)NC2=CC=C(C=C2)CC3=CC=C(C=C3)NC(=O)NC4=C(N=NS4)C(=O)OCC
diethyl55(methanediylbis(benzene41diylcarbamoylimino))bis(123thiadiazole4carboxylate)
ETHYL5(((4(4((((4(ETHOXYCARBONYL)123THIADIAZOL5YL)AMINO)CARBONYL)AMINO)BENZYL)ANILINO)CARBONYL)AMINO)123THIADIAZOLE4CARBOXYLATE
ETHYL5((4((4((4ETHOXYCARBONYLTHIADIAZOL5YL)CARBAMOYLAMINO)PHENYL)METHYL)PHENYL)CARBAMOYLAMINO)THIADIAZOLE4CARBOXYLATE
InChI=1SC25H24N8O6S2c133822(34)1820(40323018)2824(36)26169514(61016)131571117(12815)2725(37)292119(31334121)23(35)3942h512H3413H212H3(H2262836)(H2272937)
MFCD06242514
ZINC000005822958
ZINC5822958

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Available files

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