Vitas-M small molecule compound
methyl 4-(7-chloro-6'-hydroxy-4,6-dimethoxy-1',3',8'-trimethyl-2',3,4'-trioxo-1',3',4',5',8',9'-hexahydro-2'H,3H-spiro[1-benzofuran-2,7'-pyrimido[4,5-b]quinolin]-5'-yl)benzoate
Catalog ID
STL551040
SMILES COc1cc(OC)c(c2c1C(=O)C1(O2)C(C)CC2=Nc3c(C(C2=C1O)c1ccc(cc1)C(=O)OC)c(=O)n(c(=O)n3C)C)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 C31H28ClN3O9 MW 622.03 g/mol Purity >90% as per NMR
InChI
InChI=1S/C31H28ClN3O9/c1-13-11-16-20(25(36)31(13)26(37)21-17(41-4)12-18(42-5)23(32)24(21)44-31)19(14-7-9-15(10-8-14)29(39)43-6)22-27(33-16)34(2)30(40)35(3)28(22)38/h7-10,12-13,19,36H,11H2,1-6H3InChIKey
DJEQVHFRSSLUSC-UHFFFAOYSA-NSynonyms
InChI=1SC31H28ClN3O9c113111620(25(36)31(13)26(37)2117(414)1218(425)23(32)24(21)4431)19(147915(10814)29(39)436)2227(3316)34(2)30(40)35(3)28(22)38h71012131936H11H216H3
methyl4(7chloro6hydroxy46dimethoxy138trimethyl234trioxo134589hexahydro2H3Hspiro(1benzofuran27pyrimido(45b)quinolin)5yl)benzoate
MFCD31757911
ZINC000888090496
ZINC000888090499
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