Vitas-M small molecule compound
7-chloro-6'-hydroxy-4,6-dimethoxy-5'-{4-methoxy-3-[2-(4-methoxyphenyl)ethoxy]phenyl}-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
STL551400
SMILES COc1ccc(cc1)CCOc1cc(ccc1OC)C1c2c(N=C3C1=C(O)C1(C(C3)C)Oc3c(C1=O)c(OC)cc(c3Cl)OC)n(C)c(=O)n(c2=O)C
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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 C39H38ClN3O10 MW 744.20 g/mol Purity >90% as per NMR
InChI
InChI=1S/C39H38ClN3O10/c1-19-16-23-29(34(44)39(19)35(45)30-26(50-6)18-27(51-7)32(40)33(30)53-39)28(31-36(41-23)42(2)38(47)43(3)37(31)46)21-10-13-24(49-5)25(17-21)52-15-14-20-8-11-22(48-4)12-9-20/h8-13,17-19,28,44H,14-16H2,1-7H3InChIKey
KTZCHXNMBSFMHS-UHFFFAOYSA-NSynonyms
7chloro6hydroxy46dimethoxy5(4methoxy3(2(4methoxyphenyl)ethoxy)phenyl)138trimethyl1589tetrahydro2H3Hspiro(1benzofuran27pyrimido(45b)quinoline)234(3H)trione
InChI=1SC39H38ClN3O10c119162329(34(44)39(19)35(45)3026(506)1827(517)32(40)33(30)5339)28(3136(4123)42(2)38(47)43(3)37(31)46)21101324(495)25(1721)5215142081122(484)12920h81317192844H1416H217H3
MFCD31758116
ZINC000888090213
ZINC000888090216
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