Vitas-M small molecule compound
ethyl 2-({[4-nitro-1-(tricyclo[3.3.1.1~3,7~]dec-1-yl)-1H-pyrazol-3-yl]carbonyl}amino)-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate
Catalog ID
STK317497
SMILES CCOC(=O)c1c(NC(=O)c2nn(cc2[N+](=O)[O-])C23CC4CC(C3)CC(C2)C4)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 C24H28N4O5S MW 484.58 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H28N4O5S/c1-2-33-23(30)19-16-4-3-5-18(16)34-22(19)25-21(29)20-17(28(31)32)12-27(26-20)24-9-13-6-14(10-24)8-15(7-13)11-24/h12-15H,2-11H2,1H3,(H,25,29)InChIKey
DELYGQHFCAJADA-UHFFFAOYSA-NSynonyms
492456-97-0492456970
CCOC(=O)C1=C(SC2=C1CCC2)NC(=O)C3=NN(C=C3(N+)(=O)(O))C45CC6CC(C4)CC(C6)C5
CCOC(=O)c1c(NC(=O)c2nn(cc2(N+)(=O)(O))C23CC4CC(C3)CC(C2)C4)sc2c1CCC2
ETHYL2(((1(1ADAMANTYL)4NITRO1HPYRAZOL3YL)CARBONYL)AMINO)56DIHYDRO4HCYCLOPENTA(B)THIOPHENE3CARBOXYLATE
ethyl2(((4nitro1(tricyclo(3311~37~)dec1yl)1Hpyrazol3yl)carbonyl)amino)56dihydro4Hcyclopenta(b)thiophene3carboxylate
ETHYL2((1(1ADAMANTYL)4NITROPYRAZOLE3CARBONYL)AMINO)56DIHYDRO4HCYCLOPENTA(B)THIOPHENE3CARBOXYLATE
InChI=1SC24H28N4O5Sc123323(30)191643518(16)3422(19)2521(29)2017(28(31)32)1227(2620)24913614(1024)815(713)1124h1215H211H21H3(H2529)
MFCD02243671
ZINC000008454526
ZINC08454526
ZINC8454526
Check stock
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Check stock on Vitas-MAvailable files
Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.