Vitas-M small molecule compound

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

Catalog ID
STK507419
SMILES OCCNC1(C2CC3CC1CC(C2)C3)c1nnnn1c1ccsc1C(=O)OC

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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 C19H25N5O3S MW 403.51 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H25N5O3S/c1-27-17(26)16-15(2-5-28-16)24-18(21-22-23-24)19(20-3-4-25)13-7-11-6-12(9-13)10-14(19)8-11/h2,5,11-14,20,25H,3-4,6-10H2,1H3
InChIKey
INVBCWSUONJSGL-UHFFFAOYSA-N
Synonyms

COC(=O)C1=C(C=CS1)N2C(=NN=N2)C3(C4CC5CC(C4)CC3C5)NCCO
InChI=1SC19H25N5O3Sc12717(26)1615(252816)2418(21222324)19(203425)13711612(913)1014(19)811h2511142025H34610H21H3
methyl3(5(2((2hydroxyethyl)amino)tricyclo(3311~37~)dec2yl)1Htetrazol1yl)thiophene2carboxylate
methyl3(5(2(2hydroxyethylamino)2adamantyl)tetrazol1yl)thiophene2carboxylate
MFCD13369350
ZINC000035170825
ZINC35170825

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Available files

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