Vitas-M small molecule compound

4-[3-(morpholin-4-yl)propyl]-5-[(5-phenyl-2H-tetrazol-2-yl)methyl]-4H-1,2,4-triazole-3-thiol

Catalog ID
STK306255
SMILES Sc1nnc(n1CCCN1CCOCC1)Cn1nnc(n1)c1ccccc1

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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 C17H22N8OS MW 386.48 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H22N8OS/c27-17-20-18-15(24(17)8-4-7-23-9-11-26-12-10-23)13-25-21-16(19-22-25)14-5-2-1-3-6-14/h1-3,5-6H,4,7-13H2,(H,20,27)
InChIKey
KTBMDAZXKBMNAF-UHFFFAOYSA-N
Synonyms
828277-38-9
4(3(morpholin4yl)propyl)5((5phenyl2Htetrazol2yl)methyl)4H124triazole3thiol
4(3MORPHOLIN4YLPROPYL)3((5PHENYLTETRAZOL2YL)METHYL)1H124TRIAZOLE5THIONE
828277389
C1COCCN1CCCN2C(=NNC2=S)CN3N=C(N=N3)C4=CC=CC=C4
InChI=1SC17H22N8OSc2717201815(24(17)8472391126121023)13252116(192225)145213614h1356H4713H2(H2027)
MFCD04047920
ZINC000020028563
ZINC20028563

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Available files

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