Vitas-M small molecule compound

4-({[5-(4-methoxybenzyl)-4-methyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetyl)benzonitrile

Catalog ID
STK245825
SMILES COc1ccc(cc1)Cc1nnc(n1C)SCC(=O)c1ccc(cc1)C#N

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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 C20H18N4O2S MW 378.45 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H18N4O2S/c1-24-19(11-14-5-9-17(26-2)10-6-14)22-23-20(24)27-13-18(25)16-7-3-15(12-21)4-8-16/h3-10H,11,13H2,1-2H3
InChIKey
DAWNYSCKTGERQM-UHFFFAOYSA-N
Synonyms

4(((5(4METHOXYBENZYL)4METHYL4H124TRIAZOL3YL)SULFANYL)ACETYL)BENZONITRILE
4(2((5((4methoxyphenyl)methyl)4methyl124triazol3yl)sulfanyl)acetyl)benzonitrile
4(2(5(4METHOXYBENZYL)4METHYL4H(124)TRIAZOL3YLSULFANYL)ACETYL)BENZONITRILE
CN1C(=NN=C1SCC(=O)C2=CC=C(C=C2)C#N)CC3=CC=C(C=C3)OC
InChI=1SC20H18N4O2Sc12419(11145917(262)10614)222320(24)271318(25)167315(1221)4816h310H1113H212H3
MFCD08670570
ZINC000009328173
ZINC09328173
ZINC9328173

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Available files

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