Vitas-M small molecule compound
4-({[5-(1-benzofuran-2-yl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetyl)benzonitrile
Catalog ID
STK245809
SMILES C=CCn1c(SCC(=O)c2ccc(cc2)C#N)nnc1c1cc2c(o1)cccc2
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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 C22H16N4O2S MW 400.46 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H16N4O2S/c1-2-11-26-21(20-12-17-5-3-4-6-19(17)28-20)24-25-22(26)29-14-18(27)16-9-7-15(13-23)8-10-16/h2-10,12H,1,11,14H2InChIKey
ISLAEZMWDVLRCN-UHFFFAOYSA-NSynonyms
4(((5(1BENZOFURAN2YL)4(PROP2EN1YL)4H124TRIAZOL3YL)SULFANYL)ACETYL)BENZONITRILE
4(2((5(1benzofuran2yl)4prop2enyl124triazol3yl)sulfanyl)acetyl)benzonitrile
4(2(4ALLYL5BENZOFURAN2YL4H(124)TRIAZOL3YLSULFANYL)ACETYL)BENZONITRILE
C=CCN1C(=NN=C1SCC(=O)C2=CC=C(C=C2)C#N)C3=CC4=CC=CC=C4O3
InChI=1SC22H16N4O2Sc12112621(201217534619(17)2820)242522(26)291418(27)169715(1323)81016h21012H11114H2
MFCD08670553
ZINC000009328146
ZINC09328146
ZINC9328146
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