Vitas-M small molecule compound

methyl 3-{5-[2-(methylamino)tricyclo[3.3.1.1~3,7~]dec-2-yl]-1H-tetrazol-1-yl}thiophene-2-carboxylate

Catalog ID
STK507484
SMILES COC(=O)c1sccc1n1nnnc1C1(NC)C2CC3CC1CC(C2)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 C18H23N5O2S MW 373.48 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H23N5O2S/c1-19-18(12-6-10-5-11(8-12)9-13(18)7-10)17-20-21-22-23(17)14-3-4-26-15(14)16(24)25-2/h3-4,10-13,19H,5-9H2,1-2H3
InChIKey
CYYBDATXXBLDGO-UHFFFAOYSA-N
Synonyms

CNC1(C2CC3CC(C2)CC1C3)C4=NN=NN4C5=C(SC=C5)C(=O)OC
InChI=1SC18H23N5O2Sc11918(12610511(812)913(18)710)1720212223(17)14342615(14)16(24)252h34101319H59H212H3
methyl3(5(2(methylamino)2adamantyl)tetrazol1yl)thiophene2carboxylate
methyl3(5(2(methylamino)tricyclo(3311~37~)dec2yl)1Htetrazol1yl)thiophene2carboxylate
MFCD13369415
ZINC000035170804
ZINC35170804

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Available files

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