Vitas-M small molecule compound

ethyl 2-{4-[(2S,8'R)-2'-amino-7-chloro-4'-hydroxy-4,6-dimethoxy-8'-methyl-3,6'-dioxo-6',8',9',10'-tetrahydro-3H,5'H-spiro[1-benzofuran-2,7'-pyrimido[4,5-b]quinolin]-5'-yl]phenoxy}-4-methyl-1,3-thiazole-5-carboxylate

Catalog ID
STL552126
SMILES CCOC(=O)c1sc(nc1C)Oc1ccc(cc1)C1c2c(O)nc(nc2NC2=C1C(=O)[C@]1([C@@H](C2)C)Oc2c(C1=O)c(OC)cc(c2Cl)OC)N

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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 C34H30ClN5O9S MW 720.16 g/mol Purity >90% as per NMR
InChI
InChI=1S/C34H30ClN5O9S/c1-6-47-31(44)26-14(3)37-33(50-26)48-16-9-7-15(8-10-16)20-21-17(38-29-23(20)30(43)40-32(36)39-29)11-13(2)34(27(21)41)28(42)22-18(45-4)12-19(46-5)24(35)25(22)49-34/h7-10,12-13,20H,6,11H2,1-5H3,(H4,36,38,39,40,43)/t13-,20?,34+/m1/s1
InChIKey
LFYINSNMIJQCDD-MTLWFHAQSA-N
Synonyms

135640413
ethyl2(4((2~(S)8~(R))2amino7chloro46dimethoxy8methyl346trioxospiro(1benzofuran2758910tetrahydro3~(H)pyrimido(45b)quinoline)5yl)phenoxy)4methyl13thiazole5carboxylate
ethyl2(4((2S8R)2amino7chloro4hydroxy46dimethoxy8methyl36dioxo68910tetrahydro3H5Hspiro(1benzofuran27pyrimido(45b)quinolin)5yl)phenoxy)4methyl13thiazole5carboxylate
InChI=1SC34H30ClN5O9Sc164731(44)2614(3)3733(5026)48169715(81016)202117(382923(20)30(43)4032(36)3929)1113(2)34(27(21)41)28(42)2218(454)1219(465)24(35)25(22)4934h710121320H611H215H3(H43638394043)t1320?34+m1s1
ZINC001547139182
ZINC001547139184

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Available files

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