Vitas-M small molecule compound

5-[azepan-1-yl(3-fluorophenyl)methyl]-2-methyl[1,3]thiazolo[3,2-b][1,2,4]triazol-6-ol

Catalog ID
STL422487
SMILES Fc1cccc(c1)C(c1sc2n(c1O)nc(n2)C)N1CCCCCC1

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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 C18H21FN4OS MW 360.46 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H21FN4OS/c1-12-20-18-23(21-12)17(24)16(25-18)15(13-7-6-8-14(19)11-13)22-9-4-2-3-5-10-22/h6-8,11,15,24H,2-5,9-10H2,1H3
InChIKey
TVXPZRNUPKUJHG-UHFFFAOYSA-N
Synonyms
1630848-61-1
1630848611
5(azepan1yl(3fluorophenyl)methyl)2methyl(13)thiazolo(32b)(124)triazol6ol
5(azepan1yl(3fluorophenyl)methyl)2methylthiazolo(32b)(124)triazol6ol
CC1=NN2C(=C(SC2=N1)C(C3=CC(=CC=C3)F)N4CCCCCC4)O
InChI=1SC18H21FN4OSc112201823(2112)17(24)16(2518)15(1376814(19)1113)22942351022h68111524H25910H21H3
MFCD28367783
ZINC000218308300
ZINC000218308358

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Available files

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