Vitas-M small molecule compound

(2S,8'R)-7-chloro-1'-[2-(3,4-dihydroxyphenyl)ethyl]-4'-hydroxy-4,6-dimethoxy-8'-methyl-8',9'-dihydro-2'H,3H-spiro[1-benzofuran-2,7'-pyrimido[4,5-b]quinoline]-2',3,6'(1'H)-trione

Catalog ID
STL551636
SMILES COc1cc(OC)c(c2c1C(=O)[C@]1(O2)[C@H](C)Cc2c(C1=O)cc1c(n2)n(CCc2ccc(c(c2)O)O)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 C29H24ClN3O9 MW 593.98 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H24ClN3O9/c1-12-8-16-14(24(36)29(12)25(37)21-19(40-2)11-20(41-3)22(30)23(21)42-29)10-15-26(31-16)33(28(39)32-27(15)38)7-6-13-4-5-17(34)18(35)9-13/h4-5,9-12,34-35H,6-8H2,1-3H3,(H,32,38,39)/t12-,29+/m1/s1
InChIKey
GMNWWYDEZMUZJC-ZNNHIBJESA-N
Synonyms

(2~(S)8~(R))7chloro1(2(34dihydroxyphenyl)ethyl)46dimethoxy8methylspiro(1benzofuran2789dihydropyrimido(45b)quinoline)2346tetrone
(2S8R)7chloro1(2(34dihydroxyphenyl)ethyl)4hydroxy46dimethoxy8methyl89dihydro2H3Hspiro(1benzofuran27pyrimido(45b)quinoline)236(1H)trione
132352500
InChI=1SC29H24ClN3O9c11281614(24(36)29(12)25(37)2119(402)1120(413)22(30)23(21)4229)101526(3116)33(28(39)3227(15)38)76134517(34)18(35)913h459123435H68H213H3(H323839)t1229+m1s1
ZINC000824566844

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Available files

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