Vitas-M small molecule compound
ethyl 2-{4-[(2S,8'R)-7-chloro-4'-hydroxy-4,6-dimethoxy-8'-methyl-2',3,6'-trioxo-1',5',6',8',9',10'-hexahydro-2'H,3H-spiro[1-benzofuran-2,7'-pyrimido[4,5-b]quinolin]-5'-yl]phenoxy}-4-methyl-1,3-thiazole-5-carboxylate
Catalog ID
STL552089
SMILES CCOC(=O)c1sc(nc1C)Oc1ccc(cc1)C1C2=C(C[C@H]([C@@]3(C2=O)Oc2c(C3=O)c(OC)cc(c2Cl)OC)C)Nc2c1c(O)nc(=O)[nH]2
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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 C34H29ClN4O10S MW 721.14 g/mol Purity >90% as per NMR
InChI
InChI=1S/C34H29ClN4O10S/c1-6-47-31(43)26-14(3)36-33(50-26)48-16-9-7-15(8-10-16)20-21-17(37-29-23(20)30(42)39-32(44)38-29)11-13(2)34(27(21)40)28(41)22-18(45-4)12-19(46-5)24(35)25(22)49-34/h7-10,12-13,20H,6,11H2,1-5H3,(H3,37,38,39,42,44)/t13-,20?,34+/m1/s1InChIKey
CGYZQSLMZUVDPU-MTLWFHAQSA-NSynonyms
135640385
ethyl2(4((2~(S)8~(R))7chloro46dimethoxy8methyl2346tetraoxospiro(1benzofuran2758910tetrahydro1~(H)pyrimido(45b)quinoline)5yl)phenoxy)4methyl13thiazole5carboxylate
ethyl2(4((2S8R)7chloro4hydroxy46dimethoxy8methyl236trioxo1568910hexahydro2H3Hspiro(1benzofuran27pyrimido(45b)quinolin)5yl)phenoxy)4methyl13thiazole5carboxylate
InChI=1SC34H29ClN4O10Sc164731(43)2614(3)3633(5026)48169715(81016)202117(372923(20)30(42)3932(44)3829)1113(2)34(27(21)40)28(41)2218(454)1219(465)24(35)25(22)4934h710121320H611H215H3(H33738394244)t1320?34+m1s1
ZINC001547138225
ZINC001547138226
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