Vitas-M small molecule compound

propyl 2-[(tricyclo[3.3.1.1~3,7~]dec-1-ylcarbonyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

Catalog ID
STK315442
SMILES CCCOC(=O)c1c(sc2c1CCCC2)NC(=O)C12CC3CC(C2)CC(C1)C3

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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 C23H31NO3S MW 401.57 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H31NO3S/c1-2-7-27-21(25)19-17-5-3-4-6-18(17)28-20(19)24-22(26)23-11-14-8-15(12-23)10-16(9-14)13-23/h14-16H,2-13H2,1H3,(H,24,26)
InChIKey
PIMYGVCXHFRYSY-UHFFFAOYSA-N
Synonyms
352639-55-5
352639555
CCCOC(=O)C1=C(SC2=C1CCCC2)NC(=O)C34CC5CC(C3)CC(C5)C4
InChI=1SC23H31NO3Sc1272721(25)1917534618(17)2820(19)2422(26)231114815(1223)1016(914)1323h1416H213H21H3(H2426)
MFCD01832645
propyl2((tricyclo(3311~37~)dec1ylcarbonyl)amino)4567tetrahydro1benzothiophene3carboxylate
propyl2(adamantane1carbonylamino)4567tetrahydro1benzothiophene3carboxylate
ZINC000004321587
ZINC04321587
ZINC4321587

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Available files

Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.