Vitas-M small molecule compound
7-chloro-6'-hydroxy-4,6-dimethoxy-1',3',8'-trimethyl-5'-{4-[(2-methylprop-2-en-1-yl)oxy]phenyl}-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
STL549829
SMILES COc1cc(OC)c(c2c1C(=O)C1(O2)C(C)CC2=Nc3c(C(C2=C1O)c1ccc(cc1)OCC(=C)C)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 C33H32ClN3O8 MW 634.09 g/mol Purity >90% as per NMR
InChI
InChI=1S/C33H32ClN3O8/c1-15(2)14-44-18-10-8-17(9-11-18)22-23-19(35-30-25(22)31(40)37(5)32(41)36(30)4)12-16(3)33(28(23)38)29(39)24-20(42-6)13-21(43-7)26(34)27(24)45-33/h8-11,13,16,22,38H,1,12,14H2,2-7H3InChIKey
RKIUNSCURGJHDV-UHFFFAOYSA-NSynonyms
7chloro6hydroxy46dimethoxy138trimethyl5(4((2methylprop2en1yl)oxy)phenyl)1589tetrahydro2H3Hspiro(1benzofuran27pyrimido(45b)quinoline)234(3H)trione
InChI=1SC33H32ClN3O8c115(2)14441810817(91118)222319(353025(22)31(40)37(5)32(41)36(30)4)1216(3)33(28(23)38)29(39)2420(426)1321(437)26(34)27(24)4533h81113162238H11214H227H3
MFCD31757231
ZINC000888089962
ZINC000888089965
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