Vitas-M small molecule compound
ethyl 2-{[(2-benzyl-5-oxopyrazolidin-3-yl)carbonyl]amino}-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate
Catalog ID
STL019792
SMILES CCOC(=O)c1c(NC(=O)C2CC(=O)NN2Cc2ccccc2)sc2c1CCC2
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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 C21H23N3O4S MW 413.50 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H23N3O4S/c1-2-28-21(27)18-14-9-6-10-16(14)29-20(18)22-19(26)15-11-17(25)23-24(15)12-13-7-4-3-5-8-13/h3-5,7-8,15H,2,6,9-12H2,1H3,(H,22,26)(H,23,25)InChIKey
KQBSKIWPRBTNJV-UHFFFAOYSA-NSynonyms
CCOC(=O)C1=C(SC2=C1CCC2)NC(=O)C3CC(=O)NN3CC4=CC=CC=C4
ethyl2(((2benzyl5oxopyrazolidin3yl)carbonyl)amino)56dihydro4Hcyclopenta(b)thiophene3carboxylate
ETHYL2((2BENZYL5OXOPYRAZOLIDINE3CARBONYL)AMINO)56DIHYDRO4HCYCLOPENTA(B)THIOPHENE3CARBOXYLATE
ETHYL2((5OXO2BENZYLPYRAZOLIDIN3YL)CARBONYLAMINO)456TRIHYDROCYCLOPENTA(21B)THIOPHENE3CARBOXYLATE
InChI=1SC21H23N3O4Sc122821(27)1814961016(14)2920(18)2219(26)151117(25)2324(15)12137435813h357815H26912H21H3(H2226)(H2325)
MFCD05718992
ZINC000000646843
ZINC000000646844
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