Vitas-M small molecule compound

(2S,8'R)-7-chloro-5'-{3-[2-(2,3-dihydro-1-benzofuran-5-yl)ethoxy]-4-methoxyphenyl}-4'-hydroxy-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
STL551784
SMILES COc1ccc(cc1OCCc1ccc2c(c1)CCO2)C1C2=C(C[C@H]([C@@]3(C2=O)Oc2c(C3=O)c(OC)cc(c2Cl)OC)C)Nc2c1c(O)nc(=O)n2C

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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 C39H36ClN3O10 MW 742.18 g/mol Purity >90% as per NMR
InChI
InChI=1S/C39H36ClN3O10/c1-18-14-22-29(34(44)39(18)35(45)30-26(49-4)17-27(50-5)32(40)33(30)53-39)28(31-36(41-22)43(2)38(47)42-37(31)46)21-7-9-24(48-3)25(16-21)52-12-10-19-6-8-23-20(15-19)11-13-51-23/h6-9,15-18,28,41H,10-14H2,1-5H3,(H,42,46,47)/t18-,28?,39+
InChIKey
MIZRTUMTPCBLJH-ODZUQGHESA-N
Synonyms

(2~(S)8~(R))7chloro5(3(2(23dihydro1benzofuran5yl)ethoxy)4methoxyphenyl)46dimethoxy18dimethylspiro(1benzofuran2758910tetrahydropyrimido(45b)quinoline)2346tetrone
(2S8R)7chloro5(3(2(23dihydro1benzofuran5yl)ethoxy)4methoxyphenyl)4hydroxy46dimethoxy18dimethyl58910tetrahydro2H3Hspiro(1benzofuran27pyrimido(45b)quinoline)236(1H)trione
132351845
InChI=1SC39H36ClN3O10c118142229(34(44)39(18)35(45)3026(494)1727(505)32(40)33(30)5339)28(3136(4122)43(2)38(47)4237(31)46)217924(483)25(1621)52121019682320(1519)11135123h6915182841H1014H215H3(H424647)t1828?39+m1s1
ZINC000824739436
ZINC000824739450

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Available files

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