Vitas-M small molecule compound

ethyl 2-({[1-(3-chlorophenyl)-4-oxo-1,4-dihydropyridazin-3-yl]carbonyl}amino)-4-(4-methylphenyl)thiophene-3-carboxylate

Catalog ID
STK517881
SMILES CCOC(=O)c1c(scc1c1ccc(cc1)C)NC(=O)c1nn(ccc1=O)c1cccc(c1)Cl

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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 C25H20ClN3O4S MW 493.97 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H20ClN3O4S/c1-3-33-25(32)21-19(16-9-7-15(2)8-10-16)14-34-24(21)27-23(31)22-20(30)11-12-29(28-22)18-6-4-5-17(26)13-18/h4-14H,3H2,1-2H3,(H,27,31)
InChIKey
DQFBJPNMYGUNQF-UHFFFAOYSA-N
Synonyms

CCOC(=O)C1=C(SC=C1C2=CC=C(C=C2)C)NC(=O)C3=NN(C=CC3=O)C4=CC(=CC=C4)Cl
ethyl2(((1(3chlorophenyl)4oxo14dihydropyridazin3yl)carbonyl)amino)4(4methylphenyl)thiophene3carboxylate
ethyl2((1(3chlorophenyl)4oxopyridazine3carbonyl)amino)4(4methylphenyl)thiophene3carboxylate
InChI=1SC25H20ClN3O4Sc133325(32)2119(169715(2)81016)143424(21)2723(31)2220(30)111229(2822)1864517(26)1318h414H3H212H3(H2731)
MFCD08549280
ZINC000011913717
ZINC11913717

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Available files

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