Vitas-M small molecule compound
(2S,7'R)-7-chloro-4'-(4-hydroxy-3,5-dimethoxyphenyl)-4,6-dimethoxy-7'-methyl-3',4',7',8'-tetrahydro-2'H,3H-spiro[1-benzofuran-2,6'-quinoline]-2',3,5'(1'H)-trione
Catalog ID
STL550694
SMILES COc1cc(OC)c(c2c1C(=O)[C@]1(O2)[C@H](C)CC2=C(C1=O)C(CC(=O)N2)c1cc(OC)c(c(c1)OC)O)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 C27H26ClNO9 MW 543.96 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H26ClNO9/c1-11-6-14-20(13(9-19(30)29-14)12-7-17(36-4)23(31)18(8-12)37-5)25(32)27(11)26(33)21-15(34-2)10-16(35-3)22(28)24(21)38-27/h7-8,10-11,13,31H,6,9H2,1-5H3,(H,29,30)/t11-,13?,27+/m1/s1InChIKey
UUSQMOULYHHTLU-GLXIXLLISA-NSynonyms
(2~(S)7~(R))7chloro4(4hydroxy35dimethoxyphenyl)46dimethoxy7methylspiro(1benzofuran263478tetrahydro1~(H)quinoline)235trione
(2S7R)7chloro4(4hydroxy35dimethoxyphenyl)46dimethoxy7methyl3478tetrahydro1H3Hspiro(benzofuran26quinoline)235trione
(2S7R)7chloro4(4hydroxy35dimethoxyphenyl)46dimethoxy7methyl3478tetrahydro2H3Hspiro(1benzofuran26quinoline)235(1H)trione
129894705
COc1cc(OC)c(c2c1C(=O)(C@)1(O2)(C@H)(C)CC2=C(C1=O)C(CC(=O)N2)c1cc(OC)c(c(c1)OC)O)Cl
InChI=1SC27H26ClNO9c11161420(13(919(30)2914)12717(364)23(31)18(812)375)25(32)27(11)26(33)2115(342)1016(353)22(28)24(21)3827h7810111331H69H215H3(H2930)t1113?27+m1s1
ZINC000524729458
ZINC000524729459
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