Vitas-M small molecule compound
{4-[(2S,8'R)-7-chloro-4'-hydroxy-4,6-dimethoxy-1',8'-dimethyl-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]-2-methoxyphenoxy}acetic acid
Catalog ID
STL552601
SMILES COc1cc(ccc1OCC(=O)O)C1C2=C(C[C@H]([C@@]3(C2=O)Oc2c(C3=O)c(OC)cc(c2Cl)OC)C)Nc2c1c(O)nc(=O)n2C
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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 C31H28ClN3O11 MW 654.03 g/mol Purity >90% as per NMR
InChI
InChI=1S/C31H28ClN3O11/c1-12-8-14-21(26(38)31(12)27(39)22-17(43-4)10-18(44-5)24(32)25(22)46-31)20(23-28(33-14)35(2)30(41)34-29(23)40)13-6-7-15(16(9-13)42-3)45-11-19(36)37/h6-7,9-10,12,20,33H,8,11H2,1-5H3,(H,36,37)(H,34,40,41)/t12-,20?,31+/m1/s1InChIKey
SLASHUIXCKUISW-IFIJKEPYSA-NSynonyms
(4((2S8R)7chloro4hydroxy46dimethoxy18dimethyl236trioxo1568910hexahydro2H3Hspiro(1benzofuran27pyrimido(45b)quinolin)5yl)2methoxyphenoxy)aceticacid
132352015
2(4((2~(S)8~(R))7chloro46dimethoxy18dimethyl2346tetraoxospiro(1benzofuran2758910tetrahydropyrimido(45b)quinoline)5yl)2methoxyphenoxy)aceticacid
InChI=1SC31H28ClN3O11c11281421(26(38)31(12)27(39)2217(434)1018(445)24(32)25(22)4631)20(2328(3314)35(2)30(41)3429(23)40)136715(16(913)423)451119(36)37h67910122033H811H215H3(H3637)(H344041)t1220?31+m1s1
ZINC000824609165
ZINC000824609172
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