Vitas-M small molecule compound
(2S,8'R)-7-chloro-4'-hydroxy-4,6-dimethoxy-8'-methyl-5'-(3,4,5-trimethoxyphenyl)-5',8',9',10'-tetrahydro-2'H,3H-spiro[1-benzofuran-2,7'-pyrimido[4,5-b]quinoline]-2',3,6'(1'H)-trione
Catalog ID
STL551626
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)[nH]c(=O)nc1O)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 C30H28ClN3O10 MW 626.02 g/mol Purity >90% as per NMR
InChI
InChI=1S/C30H28ClN3O10/c1-11-7-13-19(25(35)30(11)26(36)20-14(39-2)10-15(40-3)22(31)24(20)44-30)18(21-27(32-13)33-29(38)34-28(21)37)12-8-16(41-4)23(43-6)17(9-12)42-5/h8-11,18H,7H2,1-6H3,(H3,32,33,34,37,38)/t11-,18?,30+/m1/s1InChIKey
RSCBGXNJFOGMGA-GIYRFLMWSA-NSynonyms
(2~(S)8~(R))7chloro46dimethoxy8methyl5(345trimethoxyphenyl)spiro(1benzofuran2758910tetrahydro1~(H)pyrimido(45b)quinoline)2346tetrone
(2S8R)7chloro4hydroxy46dimethoxy8methyl5(345trimethoxyphenyl)58910tetrahydro2H3Hspiro(1benzofuran27pyrimido(45b)quinoline)236(1H)trione
132352494
InChI=1SC30H28ClN3O10c11171319(25(35)30(11)26(36)2014(392)1015(403)22(31)24(20)4430)18(2127(3213)3329(38)3428(21)37)12816(414)23(436)17(912)425h81118H7H216H3(H33233343738)t1118?30+m1s1
ZINC000824567433
ZINC000824567441
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