Vitas-M small molecule compound
methyl 2-({[1-(4-methylphenyl)-4-oxo-1,4-dihydropyridazin-3-yl]carbonyl}amino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Catalog ID
STK909983
SMILES COC(=O)c1c(NC(=O)c2nn(ccc2=O)c2ccc(cc2)C)sc2c1CCCC2
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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 C22H21N3O4S MW 423.49 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H21N3O4S/c1-13-7-9-14(10-8-13)25-12-11-16(26)19(24-25)20(27)23-21-18(22(28)29-2)15-5-3-4-6-17(15)30-21/h7-12H,3-6H2,1-2H3,(H,23,27)InChIKey
BHBIKQYDFYLWRS-UHFFFAOYSA-NSynonyms
CC1=CC=C(C=C1)N2C=CC(=O)C(=N2)C(=O)NC3=C(C4=C(S3)CCCC4)C(=O)OC
InChI=1SC22H21N3O4Sc1137914(10813)25121116(26)19(2425)20(27)232118(22(28)292)15534617(15)3021h712H36H212H3(H2327)
methyl2(((1(4methylphenyl)4oxo14dihydropyridazin3yl)carbonyl)amino)4567tetrahydro1benzothiophene3carboxylate
methyl2((1(4methylphenyl)4oxopyridazine3carbonyl)amino)4567tetrahydro1benzothiophene3carboxylate
MFCD06649090
ZINC000008868385
ZINC08868385
ZINC8868385
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Check stock on Vitas-MAvailable files
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