Vitas-M small molecule compound
1-[10-chloro-6-(2-fluorophenyl)-3-(methylsulfanyl)[1,2,4]triazino[5,6-d][3,1]benzoxazepin-7(6H)-yl]ethanone
Catalog ID
STK521969
SMILES CSc1nnc2c(n1)OC(N(c1c2cc(Cl)cc1)C(=O)C)c1ccccc1F
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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 C19H14ClFN4O2S MW 416.86 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H14ClFN4O2S/c1-10(26)25-15-8-7-11(20)9-13(15)16-17(22-19(28-2)24-23-16)27-18(25)12-5-3-4-6-14(12)21/h3-9,18H,1-2H3InChIKey
KBNGLGIFLGNTMT-UHFFFAOYSA-NSynonyms
1(10chloro6(2fluorophenyl)3(methylsulfanyl)(124)triazino(56d)(31)benzoxazepin7(6H)yl)ethanone
1(10CHLORO6(2FLUOROPHENYL)3METHYLSULFANYL6H(124)TRIAZINO(56D)(31)BENZOXAZEPIN7YL)ETHANONE
7ACETYL10CHLORO6(2FLUOROPHENYL)67DIHYDRO(124)TRIAZINO(56D)(31)BENZOXAZEPIN3YLMETHYLSULFIDE
CC(=O)N1C(OC2=C(C3=C1C=CC(=C3)Cl)N=NC(=N2)SC)C4=CC=CC=C4F
InChI=1SC19H14ClFN4O2Sc110(26)25158711(20)913(15)1617(2219(282)242316)2718(25)12534614(12)21h3918H12H3
MFCD04090704
ZINC000000684892
ZINC000000684893
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