Vitas-M small molecule compound

2-({5-[3-(4-methoxyphenyl)propyl]-4-methyl-4H-1,2,4-triazol-3-yl}sulfanyl)-1-(4-methylphenyl)ethanone

Catalog ID
STK267099
SMILES COc1ccc(cc1)CCCc1nnc(n1C)SCC(=O)c1ccc(cc1)C

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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 C22H25N3O2S MW 395.53 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H25N3O2S/c1-16-7-11-18(12-8-16)20(26)15-28-22-24-23-21(25(22)2)6-4-5-17-9-13-19(27-3)14-10-17/h7-14H,4-6,15H2,1-3H3
InChIKey
CAWBFONGRUJUPZ-UHFFFAOYSA-N
Synonyms

2((5(3(4methoxyphenyl)propyl)4methyl124triazol3yl)sulfanyl)1(4methylphenyl)ethanone
2((5(3(4METHOXYPHENYL)PROPYL)4METHYL4H124TRIAZOL3YL)SULFANYL)1(4METHYLPHENYL)ETHANONE
CC1=CC=C(C=C1)C(=O)CSC2=NN=C(N2C)CCCC3=CC=C(C=C3)OC
InChI=1SC22H25N3O2Sc11671118(12816)20(26)152822242321(25(22)2)6451791319(273)141017h714H4615H213H3
MFCD09267751
ZINC000009582587
ZINC09582587
ZINC9582587

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Available files

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