Vitas-M small molecule compound
12-oxo-N-[4-(trifluoromethyl)phenyl]-6,7,8,9,10,12-hexahydroazepino[2,1-b]quinazoline-3-carboxamide
Catalog ID
STL175560
SMILES O=C(c1ccc2c(c1)nc1n(c2=O)CCCCC1)Nc1ccc(cc1)C(F)(F)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 C21H18F3N3O2 MW 401.39 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H18F3N3O2/c22-21(23,24)14-6-8-15(9-7-14)25-19(28)13-5-10-16-17(12-13)26-18-4-2-1-3-11-27(18)20(16)29/h5-10,12H,1-4,11H2,(H,25,28)InChIKey
JKKIANBGRWCNIK-UHFFFAOYSA-NSynonyms
938021-37-512oxoN(4(trifluoromethyl)phenyl)67891012hexahydroazepino(21b)quinazoline3carboxamide
12oxoN(4(trifluoromethyl)phenyl)78910tetrahydro6Hazepino(21b)quinazoline3carboxamide
938021375
C1CCC2=NC3=C(C=CC(=C3)C(=O)NC4=CC=C(C=C4)C(F)(F)F)C(=O)N2CC1
InChI=1SC21H18F3N3O2c2221(2324)146815(9714)2519(28)135101617(1213)261842131127(18)20(16)29h51012H1411H2(H2528)
MFCD08555608
ZINC000006392087
ZINC06392087
ZINC6392087
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