Vitas-M small molecule compound
4-[({5-[1-(4-ethylphenoxy)ethyl]-4-methyl-4H-1,2,4-triazol-3-yl}sulfanyl)acetyl]benzonitrile
Catalog ID
STK245801
SMILES CCc1ccc(cc1)OC(c1nnc(n1C)SCC(=O)c1ccc(cc1)C#N)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 C22H22N4O2S MW 406.51 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H22N4O2S/c1-4-16-7-11-19(12-8-16)28-15(2)21-24-25-22(26(21)3)29-14-20(27)18-9-5-17(13-23)6-10-18/h5-12,15H,4,14H2,1-3H3InChIKey
TXMLIMZSRAQGDH-UHFFFAOYSA-NSynonyms
4(((5(1(4ETHYLPHENOXY)ETHYL)4METHYL4H124TRIAZOL3YL)SULFANYL)ACETYL)BENZONITRILE
4(2((5(1(4ethylphenoxy)ethyl)4methyl124triazol3yl)sulfanyl)acetyl)benzonitrile
4(2(5(1(4ETHYLPHENOXY)ETHYL)4METHYL4H(124)TRIAZOL3YLSULFANYL)ACETYL)BENZONITRILE
CCC1=CC=C(C=C1)OC(C)C2=NN=C(N2C)SCC(=O)C3=CC=C(C=C3)C#N
InChI=1SC22H22N4O2Sc141671119(12816)2815(2)21242522(26(21)3)291420(27)189517(1323)61018h51215H414H213H3
MFCD08670544
ZINC000009328123
ZINC000009328126
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