Vitas-M small molecule compound
methyl 2-({[1-(3-methylphenyl)-4-oxo-1,4-dihydropyridazin-3-yl]carbonyl}amino)-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate
Catalog ID
STK913353
SMILES COC(=O)c1c(sc2c1CCC2)NC(=O)c1nn(ccc1=O)c1cccc(c1)C
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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 C21H19N3O4S MW 409.47 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H19N3O4S/c1-12-5-3-6-13(11-12)24-10-9-15(25)18(23-24)19(26)22-20-17(21(27)28-2)14-7-4-8-16(14)29-20/h3,5-6,9-11H,4,7-8H2,1-2H3,(H,22,26)InChIKey
LNUPYYWTWPPGIZ-UHFFFAOYSA-NSynonyms
CC1=CC(=CC=C1)N2C=CC(=O)C(=N2)C(=O)NC3=C(C4=C(S3)CCC4)C(=O)OC
InChI=1SC21H19N3O4Sc11253613(1112)2410915(25)18(2324)19(26)222017(21(27)282)1474816(14)2920h356911H478H212H3(H2226)
methyl2(((1(3methylphenyl)4oxo14dihydropyridazin3yl)carbonyl)amino)56dihydro4Hcyclopenta(b)thiophene3carboxylate
methyl2((1(3methylphenyl)4oxopyridazine3carbonyl)amino)56dihydro4Hcyclopenta(b)thiophene3carboxylate
MFCD07428308
ZINC000012062540
ZINC12062540
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