Vitas-M small molecule compound
1-(3,4-dihydroisoquinolin-2(1H)-yl)-2-{[5-(2-fluorophenyl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}ethanone
Catalog ID
STK288980
SMILES C=CCn1c(SCC(=O)N2CCc3c(C2)cccc3)nnc1c1ccccc1F
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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 C22H21FN4OS MW 408.50 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H21FN4OS/c1-2-12-27-21(18-9-5-6-10-19(18)23)24-25-22(27)29-15-20(28)26-13-11-16-7-3-4-8-17(16)14-26/h2-10H,1,11-15H2InChIKey
DGPUEGJLYVQDNW-UHFFFAOYSA-NSynonyms
1(34dihydro1Hisoquinolin2yl)2((5(2fluorophenyl)4prop2enyl124triazol3yl)sulfanyl)ethanone
1(34DIHYDROISOQUINOLIN2(1H)YL)2((5(2FLUOROPHENYL)4(PROP2EN1YL)4H124TRIAZOL3YL)SULFANYL)ETHANONE
2(4ALLYL5(2FLUOROPHENYL)4H(124)TRIAZOL3YLSULFANYL)1(34DIHYDRO1HISOQUINOLIN2YL)ETHANONE
C=CCN1C(=NN=C1SCC(=O)N2CCC3=CC=CC=C3C2)C4=CC=CC=C4F
InChI=1SC22H21FN4OSc12122721(189561019(18)23)242522(27)291520(28)26131116734817(16)1426h210H11115H2
MFCD09039584
ZINC000013567169
ZINC13567169
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