Vitas-M small molecule compound
N-(2-ethoxyphenyl)-2-[(tricyclo[3.3.1.1~3,7~]dec-2-ylcarbonyl)amino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxamide
Catalog ID
STK065743
SMILES CCOc1ccccc1NC(=O)c1c(NC(=O)C2C3CC4CC2CC(C3)C4)sc2c1CCCCC2
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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 C29H36N2O3S MW 492.68 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H36N2O3S/c1-2-34-23-10-7-6-9-22(23)30-28(33)26-21-8-4-3-5-11-24(21)35-29(26)31-27(32)25-19-13-17-12-18(15-19)16-20(25)14-17/h6-7,9-10,17-20,25H,2-5,8,11-16H2,1H3,(H,30,33)(H,31,32)InChIKey
IPNNSPVTZBBZCC-UHFFFAOYSA-NSynonyms
2(adamantane2carbonylamino)N(2ethoxyphenyl)5678tetrahydro4Hcyclohepta(b)thiophene3carboxamide
CCOC1=CC=CC=C1NC(=O)C2=C(SC3=C2CCCCC3)NC(=O)C4C5CC6CC(C5)CC4C6
CCOc1ccccc1NC(=O)c1c(NC(=O)C2C3CC4CC2CC(C3)C4)sc2c1CCCCC2
InChI=1SC29H36N2O3Sc1234231076922(23)3028(33)262184351124(21)3529(26)3127(32)251913171218(1519)1620(25)1417h67910172025H2581116H21H3(H3033)(H3132)
MFCD02087029
N(2ethoxyphenyl)2((tricyclo(3311~37~)dec2ylcarbonyl)amino)5678tetrahydro4Hcyclohepta(b)thiophene3carboxamide
STK065743
ZINC000008781327
ZINC08781327
ZINC8781327
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