Vitas-M small molecule compound
(2S,8'R)-7-chloro-4'-hydroxy-4,6-dimethoxy-8'-methyl-1'-(pyridin-4-ylmethyl)-8',9'-dihydro-2'H,3H-spiro[1-benzofuran-2,7'-pyrimido[4,5-b]quinoline]-2',3,6'(1'H)-trione
Catalog ID
STL551841
SMILES COc1cc(OC)c(c2c1C(=O)[C@]1(O2)[C@H](C)Cc2c(C1=O)cc1c(n2)n(Cc2ccncc2)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 C27H21ClN4O7 MW 548.94 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H21ClN4O7/c1-12-8-16-14(9-15-24(30-16)32(26(36)31-25(15)35)11-13-4-6-29-7-5-13)22(33)27(12)23(34)19-17(37-2)10-18(38-3)20(28)21(19)39-27/h4-7,9-10,12H,8,11H2,1-3H3,(H,31,35,36)/t12-,27+/m1/s1InChIKey
KFPJGMRFKIQBCG-MUDIAHQHSA-NSynonyms
(2~(S)8~(R))7chloro46dimethoxy8methyl1(pyridin4ylmethyl)spiro(1benzofuran2789dihydropyrimido(45b)quinoline)2346tetrone
(2S8R)7chloro4hydroxy46dimethoxy8methyl1(pyridin4ylmethyl)89dihydro2H3Hspiro(1benzofuran27pyrimido(45b)quinoline)236(1H)trione
132352370
InChI=1SC27H21ClN4O7c11281614(91524(3016)32(26(36)3125(15)35)111346297513)22(33)27(12)23(34)1917(372)1018(383)20(28)21(19)3927h4791012H811H213H3(H313536)t1227+m1s1
ZINC000824567098
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