Vitas-M small molecule compound
(2S,8'R)-2'-amino-7-chloro-5'-[3-(difluoromethoxy)phenyl]-4'-hydroxy-4,6-dimethoxy-8'-methyl-5',8',9',10'-tetrahydro-3H,6'H-spiro[1-benzofuran-2,7'-pyrimido[4,5-b]quinoline]-3,6'-dione
Catalog ID
STL551894
SMILES COc1cc(OC)c(c2c1C(=O)[C@]1(O2)[C@H](C)CC2=C(C1=O)C(c1cccc(c1)OC(F)F)c1c(N2)nc(nc1O)N)Cl
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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 C28H23ClF2N4O7 MW 600.96 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H23ClF2N4O7/c1-10-7-13-17(22(36)28(10)23(37)18-14(39-2)9-15(40-3)20(29)21(18)42-28)16(11-5-4-6-12(8-11)41-26(30)31)19-24(33-13)34-27(32)35-25(19)38/h4-6,8-10,16,26H,7H2,1-3H3,(H4,32,33,34,35,38)/t10-,16?,28+/m1/s1InChIKey
SOQGWVGZPISATL-RCDQZGFBSA-NSynonyms
(2~(S)8~(R))2amino7chloro5(3(difluoromethoxy)phenyl)46dimethoxy8methylspiro(1benzofuran2758910tetrahydro3~(H)pyrimido(45b)quinoline)346trione
(2S8R)2amino7chloro5(3(difluoromethoxy)phenyl)4hydroxy46dimethoxy8methyl58910tetrahydro3H6Hspiro(1benzofuran27pyrimido(45b)quinoline)36dione
135640223
InChI=1SC28H23ClF2N4O7c11071317(22(36)28(10)23(37)1814(392)915(403)20(29)21(18)4228)16(1154612(811)4126(30)31)1924(3313)3427(32)3525(19)38h468101626H7H213H3(H43233343538)t1016?28+m1s1
ZINC001547138812
ZINC001547138815
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