Vitas-M small molecule compound
(2S,8'R)-2'-amino-7-chloro-4'-hydroxy-4,6-dimethoxy-8'-methyl-5'-(3,4,5-trimethoxyphenyl)-5',8',9',10'-tetrahydro-3H,6'H-spiro[1-benzofuran-2,7'-pyrimido[4,5-b]quinoline]-3,6'-dione
Catalog ID
STL552033
SMILES COc1cc(OC)c(c2c1C(=O)[C@]1(O2)[C@H](C)CC2=C(C1=O)C(c1cc(OC)c(c(c1)OC)OC)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 C30H29ClN4O9 MW 625.03 g/mol Purity >90% as per NMR
InChI
InChI=1S/C30H29ClN4O9/c1-11-7-13-19(25(36)30(11)26(37)20-14(39-2)10-15(40-3)22(31)24(20)44-30)18(21-27(33-13)34-29(32)35-28(21)38)12-8-16(41-4)23(43-6)17(9-12)42-5/h8-11,18H,7H2,1-6H3,(H4,32,33,34,35,38)/t11-,18?,30+/m1/s1InChIKey
KTPSPTKKGQHMFE-GIYRFLMWSA-NSynonyms
(2~(S)8~(R))2amino7chloro46dimethoxy8methyl5(345trimethoxyphenyl)spiro(1benzofuran2758910tetrahydro3~(H)pyrimido(45b)quinoline)346trione
(2S8R)2amino7chloro4hydroxy46dimethoxy8methyl5(345trimethoxyphenyl)58910tetrahydro3H6Hspiro(1benzofuran27pyrimido(45b)quinoline)36dione
135640338
InChI=1SC30H29ClN4O9c11171319(25(36)30(11)26(37)2014(392)1015(403)22(31)24(20)4430)18(2127(3313)3429(32)3528(21)38)12816(414)23(436)17(912)425h81118H7H216H3(H43233343538)t1118?30+m1s1
ZINC001547139166
ZINC001547139170
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