Vitas-M small molecule compound
(2S,8'R)-7-chloro-4'-hydroxy-5'-(4-hydroxy-3-methoxyphenyl)-4,6-dimethoxy-1',8'-dimethyl-5',8',9',10'-tetrahydro-2'H,3H-spiro[1-benzofuran-2,7'-pyrimido[4,5-b]quinoline]-2',3,6'(1'H)-trione
Catalog ID
STL550477
SMILES COc1cc(OC)c(c2c1C(=O)[C@]1(O2)[C@H](C)CC2=C(C1=O)C(c1ccc(c(c1)OC)O)c1c(N2)n(C)c(=O)nc1O)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 C29H26ClN3O9 MW 595.99 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H26ClN3O9/c1-11-8-13-19(24(35)29(11)25(36)20-16(40-4)10-17(41-5)22(30)23(20)42-29)18(12-6-7-14(34)15(9-12)39-3)21-26(31-13)33(2)28(38)32-27(21)37/h6-7,9-11,18,31,34H,8H2,1-5H3,(H,32,37,38)/t11-,18?,29+/m1/s1InChIKey
REZKCSNAAFTXBA-JVHMWFGESA-NSynonyms
(2~(S)8~(R))7chloro5(4hydroxy3methoxyphenyl)46dimethoxy18dimethylspiro(1benzofuran2758910tetrahydropyrimido(45b)quinoline)2346tetrone
(2S8R)7chloro4hydroxy5(4hydroxy3methoxyphenyl)46dimethoxy18dimethyl58910tetrahydro2H3Hspiro(1benzofuran27pyrimido(45b)quinoline)236(1H)trione
132351937
InChI=1SC29H26ClN3O9c11181319(24(35)29(11)25(36)2016(404)1017(415)22(30)23(20)4229)18(126714(34)15(912)393)2126(3113)33(2)28(38)3227(21)37h67911183134H8H215H3(H323738)t1118?29+m1s1
ZINC000824567409
ZINC000824567416
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