Vitas-M small molecule compound
7-chloro-5'-{4-[2-(2,3-dihydro-1-benzofuran-5-yl)ethoxy]phenyl}-6'-hydroxy-4,6-dimethoxy-1',3',8'-trimethyl-1',5',8',9'-tetrahydro-2'H,3H-spiro[1-benzofuran-2,7'-pyrimido[4,5-b]quinoline]-2',3,4'(3'H)-trione
Catalog ID
STL549805
SMILES COc1cc(OC)c(c2c1C(=O)C1(O2)C(C)CC2=Nc3c(C(C2=C1O)c1ccc(cc1)OCCc1ccc2c(c1)CCO2)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 C39H36ClN3O9 MW 726.18 g/mol Purity >90% as per NMR
InChI
InChI=1S/C39H36ClN3O9/c1-19-16-24-29(34(44)39(19)35(45)30-26(48-4)18-27(49-5)32(40)33(30)52-39)28(31-36(41-24)42(2)38(47)43(3)37(31)46)21-7-9-23(10-8-21)50-14-12-20-6-11-25-22(17-20)13-15-51-25/h6-11,17-19,28,44H,12-16H2,1-5H3InChIKey
VDIANLWCQZHOSO-UHFFFAOYSA-NSynonyms
7chloro5(4(2(23dihydro1benzofuran5yl)ethoxy)phenyl)6hydroxy46dimethoxy138trimethyl1589tetrahydro2H3Hspiro(1benzofuran27pyrimido(45b)quinoline)234(3H)trione
InChI=1SC39H36ClN3O9c119162429(34(44)39(19)35(45)3026(484)1827(495)32(40)33(30)5239)28(3136(4124)42(2)38(47)43(3)37(31)46)217923(10821)501412206112522(1720)13155125h61117192844H1216H215H3
MFCD31757216
ZINC000888089312
ZINC000888089315
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