Vitas-M small molecule compound
9-(4-fluorophenyl)-6,6-dimethyl-2-(prop-2-en-1-ylsulfanyl)-5,6,7,9-tetrahydro[1,2,4]triazolo[5,1-b]quinazolin-8(4H)-one
Catalog ID
STK250474
SMILES C=CCSc1nn2c(n1)NC1=C(C2c2ccc(cc2)F)C(=O)CC(C1)(C)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 C20H21FN4OS MW 384.48 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H21FN4OS/c1-4-9-27-19-23-18-22-14-10-20(2,3)11-15(26)16(14)17(25(18)24-19)12-5-7-13(21)8-6-12/h4-8,17H,1,9-11H2,2-3H3,(H,22,23,24)InChIKey
PLYKOWUTZUKOBK-UHFFFAOYSA-NSynonyms
9(4fluorophenyl)66dimethyl2(prop2en1ylsulfanyl)5679tetrahydro(124)triazolo(51b)quinazolin8(4H)one
9(4fluorophenyl)66dimethyl2prop2enylsulfanyl1579tetrahydro(124)triazolo(51b)quinazolin8one
CC1(CC2=C(C(N3C(=N2)N=C(N3)SCC=C)C4=CC=C(C=C4)F)C(=O)C1)C
InChI=1SC20H21FN4OSc1492719231822141020(23)1115(26)16(14)17(25(18)2419)125713(21)8612h4817H1911H223H3(H222324)
MFCD06193391
ZINC000006677859
ZINC000006677861
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