Vitas-M small molecule compound
4-({[5-(3-fluorophenyl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetyl)benzonitrile
Catalog ID
STK497755
SMILES C=CCn1c(SCC(=O)c2ccc(cc2)C#N)nnc1c1cccc(c1)F
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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 C20H15FN4OS MW 378.43 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H15FN4OS/c1-2-10-25-19(16-4-3-5-17(21)11-16)23-24-20(25)27-13-18(26)15-8-6-14(12-22)7-9-15/h2-9,11H,1,10,13H2InChIKey
HVRBSPHXQAAIIG-UHFFFAOYSA-NSynonyms
4(((5(3fluorophenyl)4(prop2en1yl)4H124triazol3yl)sulfanyl)acetyl)benzonitrile
4(2((5(3fluorophenyl)4prop2enyl124triazol3yl)sulfanyl)acetyl)benzonitrile
C=CCN1C(=NN=C1SCC(=O)C2=CC=C(C=C2)C#N)C3=CC(=CC=C3)F
InChI=1SC20H15FN4OSc12102519(1643517(21)1116)232420(25)271318(26)158614(1222)7915h2911H11013H2
MFCD11855091
ZINC000008881930
ZINC08881930
ZINC8881930
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