Vitas-M small molecule compound
dimethyl 5-{5-[(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]furan-2-yl}benzene-1,3-dicarboxylate
Catalog ID
STL551998
SMILES COc1cc(OC)c(c2c1C(=O)[C@]1(O2)[C@H](C)CC2=C(C1=O)C(c1ccc(o1)c1cc(cc(c1)C(=O)OC)C(=O)OC)c1c(N2)n(C)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 C36H30ClN3O12 MW 732.10 g/mol Purity >90% as per NMR
InChI
InChI=1S/C36H30ClN3O12/c1-14-9-18-23(29(41)36(14)30(42)25-21(47-3)13-22(48-4)27(37)28(25)52-36)24(26-31(38-18)40(2)35(46)39-32(26)43)20-8-7-19(51-20)15-10-16(33(44)49-5)12-17(11-15)34(45)50-6/h7-8,10-14,24,38H,9H2,1-6H3,(H,39,43,46)/t14-,24?,36+/m1/s1InChIKey
CWCGDHABUKHKFW-LCYNMJTHSA-NSynonyms
132352374
3DICARBOXYLATE
dimethyl5(5((2~(S)8~(R))7chloro46dimethoxy18dimethyl2346tetraoxospiro(1benzofuran2758910tetrahydropyrimido(45b)quinoline)5yl)furan2yl)benzene13dicarboxylate
dimethyl5(5((2S8R)7chloro4hydroxy46dimethoxy18dimethyl236trioxo1568910hexahydro2H3Hspiro(1benzofuran27pyrimido(45b)quinolin)5yl)furan2yl)benzene13dicarboxylate
InChI=1SC36H30ClN3O12c11491823(29(41)36(14)30(42)2521(473)1322(484)27(37)28(25)5236)24(2631(3818)40(2)35(46)3932(26)43)208719(5120)151016(33(44)495)1217(1115)34(45)506h7810142438H9H216H3(H394346)t1424?36+m1s1
ZINC000824566753
ZINC000824566754
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