Vitas-M small molecule compound
N-(2-ethoxyphenyl)-6-methyl-2-[(tricyclo[3.3.1.1~3,7~]dec-1-ylcarbonyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
Catalog ID
STK385336
SMILES CCOc1ccccc1NC(=O)c1c(NC(=O)C23CC4CC(C3)CC(C2)C4)sc2c1CCC(C2)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 C29H36N2O3S MW 492.68 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H36N2O3S/c1-3-34-23-7-5-4-6-22(23)30-26(32)25-21-9-8-17(2)10-24(21)35-27(25)31-28(33)29-14-18-11-19(15-29)13-20(12-18)16-29/h4-7,17-20H,3,8-16H2,1-2H3,(H,30,32)(H,31,33)InChIKey
PCSFHJKGCZEHLK-UHFFFAOYSA-NSynonyms
2(adamantane1carbonylamino)N(2ethoxyphenyl)6methyl4567tetrahydro1benzothiophene3carboxamide
CCOC1=CC=CC=C1NC(=O)C2=C(SC3=C2CCC(C3)C)NC(=O)C45CC6CC(C4)CC(C6)C5
InChI=1SC29H36N2O3Sc133423754622(23)3026(32)25219817(2)1024(21)3527(25)3128(33)2914181119(1529)1320(1218)1629h471720H3816H212H3(H3032)(H3133)
MFCD01874766
N(2ethoxyphenyl)6methyl2((tricyclo(3311~37~)dec1ylcarbonyl)amino)4567tetrahydro1benzothiophene3carboxamide
ZINC000008856825
ZINC000008856826
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