Vitas-M small molecule compound

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

Catalog ID
STK251312
SMILES COc1ccc(cc1)Cc1nnc(n1c1ccccc1)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 C25H20N4O2S MW 440.53 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H20N4O2S/c1-31-22-13-9-18(10-14-22)15-24-27-28-25(29(24)21-5-3-2-4-6-21)32-17-23(30)20-11-7-19(16-26)8-12-20/h2-14H,15,17H2,1H3
InChIKey
FECROGDJRIEHES-UHFFFAOYSA-N
Synonyms

4(((5(4METHOXYBENZYL)4PHENYL4H124TRIAZOL3YL)SULFANYL)ACETYL)BENZONITRILE
4(2((5((4methoxyphenyl)methyl)4phenyl124triazol3yl)sulfanyl)acetyl)benzonitrile
4(2(5(4METHOXYBENZYL)4PHENYL4H(124)TRIAZOL3YLSULFANYL)ACETYL)BENZONITRILE
COC1=CC=C(C=C1)CC2=NN=C(N2C3=CC=CC=C3)SCC(=O)C4=CC=C(C=C4)C#N
InChI=1SC25H20N4O2Sc1312213918(101422)1524272825(29(24)215324621)321723(30)2011719(1626)81220h214H1517H21H3
MFCD08670573
ZINC000009668984
ZINC09668984
ZINC9668984

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Available files

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