Vitas-M small molecule compound
(1S,5R)-3-{[4-hydroxy-6-(trifluoromethoxy)quinolin-3-yl]carbonyl}-1,2,3,4,5,6-hexahydro-8H-1,5-methanopyrido[1,2-a][1,5]diazocin-8-one
Catalog ID
STL550968
SMILES O=C(c1cnc2c(c1O)cc(cc2)OC(F)(F)F)N1C[C@H]2C[C@@H](C1)c1n(C2)c(=O)ccc1
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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 C22H18F3N3O4 MW 445.40 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H18F3N3O4/c23-22(24,25)32-14-4-5-17-15(7-14)20(30)16(8-26-17)21(31)27-9-12-6-13(11-27)18-2-1-3-19(29)28(18)10-12/h1-5,7-8,12-13H,6,9-11H2,(H,26,30)/t12-,13+/m1/s1InChIKey
NACDMAFBAYCMTJ-OLZOCXBDSA-NSynonyms
(1~(S)9~(R))11(4oxo6(trifluoromethoxy)1~(H)quinoline3carbonyl)711diazatricyclo(7310^(27))trideca24dien6one
(1R5S)3(4hydroxy6(trifluoromethoxy)quinoline3carbonyl)3456tetrahydro1H15methanopyrido(12a)(15)diazocin8(2H)one
(1S5R)3((4hydroxy6(trifluoromethoxy)quinolin3yl)carbonyl)123456hexahydro8H15methanopyrido(12a)(15)diazocin8one
127253545
InChI=1SC22H18F3N3O4c2322(2425)3214451715(714)20(30)16(82617)21(31)27912613(1127)1821319(29)28(18)1012h15781213H6911H2(H2630)t1213+m1s1
O=C(c1cnc2c(c1O)cc(cc2)OC(F)(F)F)N1C(C@H)2C(C@@H)(C1)c1n(C2)c(=O)ccc1
ZINC000604404421
ZINC604404421
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