Vitas-M small molecule compound
4-[({4-methyl-5-[(2-methylphenoxy)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)acetyl]benzonitrile
Catalog ID
STK245799
SMILES N#Cc1ccc(cc1)C(=O)CSc1nnc(n1C)COc1ccccc1C
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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/c1-14-5-3-4-6-18(14)26-12-19-22-23-20(24(19)2)27-13-17(25)16-9-7-15(11-21)8-10-16/h3-10H,12-13H2,1-2H3InChIKey
MZEYCGBRRPFREM-UHFFFAOYSA-NSynonyms
4(((4METHYL5((2METHYLPHENOXY)METHYL)4H124TRIAZOL3YL)SULFANYL)ACETYL)BENZONITRILE
4(2((4methyl5((2methylphenoxy)methyl)124triazol3yl)sulfanyl)acetyl)benzonitrile
4(2(4METHYL5OTOLYLOXYMETHYL4H(124)TRIAZOL3YLSULFANYL)ACETYL)BENZONITRILE
CC1=CC=CC=C1OCC2=NN=C(N2C)SCC(=O)C3=CC=C(C=C3)C#N
InChI=1SC20H18N4O2Sc114534618(14)261219222320(24(19)2)271317(25)169715(1121)81016h310H1213H212H3
MFCD08670542
ZINC000009328115
ZINC09328115
ZINC9328115
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