Vitas-M small molecule compound
1-[6-(3-fluorophenyl)-3-(prop-2-en-1-ylsulfanyl)[1,2,4]triazino[5,6-d][3,1]benzoxazepin-7(6H)-yl]propan-1-one
Catalog ID
STK980237
SMILES C=CCSc1nnc2c(n1)OC(c1cccc(c1)F)N(c1c2cccc1)C(=O)CC
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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 C22H19FN4O2S MW 422.48 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H19FN4O2S/c1-3-12-30-22-24-20-19(25-26-22)16-10-5-6-11-17(16)27(18(28)4-2)21(29-20)14-8-7-9-15(23)13-14/h3,5-11,13,21H,1,4,12H2,2H3InChIKey
ADHFVXFTTWTCQK-UHFFFAOYSA-NSynonyms
1(6(3fluorophenyl)3(prop2en1ylsulfanyl)(124)triazino(56d)(31)benzoxazepin7(6H)yl)propan1one
1(6(3FLUOROPHENYL)3PROP2ENYLSULFANYL6H(124)TRIAZINO(56D)(31)BENZOXAZEPIN7YL)PROPAN1ONE
ALLYL6(3FLUOROPHENYL)7PROPIONYL67DIHYDRO(124)TRIAZINO(56D)(31)BENZOXAZEPIN3YLSULFIDE
CCC(=O)N1C(OC2=C(C3=CC=CC=C31)N=NC(=N2)SCC=C)C4=CC(=CC=C4)F
InChI=1SC22H19FN4O2Sc13123022242019(252622)1610561117(16)27(18(28)42)21(2920)1487915(23)1314h35111321H1412H22H3
MFCD03785000
ZINC000002122469
ZINC000002122471
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