Vitas-M small molecule compound

(2S,8'R)-2'-amino-7-chloro-4'-hydroxy-4,6-dimethoxy-8'-methyl-5'-[3-(pyrimidin-2-yloxy)phenyl]-5',8',9',10'-tetrahydro-3H,6'H-spiro[1-benzofuran-2,7'-pyrimido[4,5-b]quinoline]-3,6'-dione

Catalog ID
STL552162
SMILES COc1cc(OC)c(c2c1C(=O)[C@]1(O2)[C@H](C)CC2=C(C1=O)C(c1cccc(c1)Oc1ncccn1)c1c(N2)nc(nc1O)N)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 C31H25ClN6O7 MW 629.03 g/mol Purity >90% as per NMR
InChI
InChI=1S/C31H25ClN6O7/c1-13-10-16-20(25(39)31(13)26(40)21-17(42-2)12-18(43-3)23(32)24(21)45-31)19(22-27(36-16)37-29(33)38-28(22)41)14-6-4-7-15(11-14)44-30-34-8-5-9-35-30/h4-9,11-13,19H,10H2,1-3H3,(H4,33,36,37,38,41)/t13-,19?,31+/m1/s1
InChIKey
GOYKLYMJPDUTID-VDXNKWQSSA-N
Synonyms

(2~(S)8~(R))2amino7chloro46dimethoxy8methyl5(3pyrimidin2yloxyphenyl)spiro(1benzofuran2758910tetrahydro3~(H)pyrimido(45b)quinoline)346trione
(2S8R)2amino7chloro4hydroxy46dimethoxy8methyl5(3(pyrimidin2yloxy)phenyl)58910tetrahydro3H6Hspiro(1benzofuran27pyrimido(45b)quinoline)36dione
135640442
InChI=1SC31H25ClN6O7c113101620(25(39)31(13)26(40)2117(422)1218(433)23(32)24(21)4531)19(2227(3616)3729(33)3828(22)41)1464715(1114)4430348593530h49111319H10H213H3(H43336373841)t1319?31+m1s1
ZINC001547139114
ZINC001547139116

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Available files

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