Vitas-M small molecule compound
(2S,8'R)-7-chloro-4'-hydroxy-5'-(4-hydroxy-3,5-dimethoxyphenyl)-4,6-dimethoxy-8'-methyl-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
STL551852
SMILES COc1cc(OC)c(c2c1C(=O)[C@]1(O2)[C@H](C)CC2=C(C1=O)C(c1cc(OC)c(c(c1)OC)O)c1c(N2)[nH]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 C29H26ClN3O10 MW 611.99 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H26ClN3O10/c1-10-6-12-18(24(35)29(10)25(36)19-13(39-2)9-14(40-3)21(30)23(19)43-29)17(20-26(31-12)32-28(38)33-27(20)37)11-7-15(41-4)22(34)16(8-11)42-5/h7-10,17,34H,6H2,1-5H3,(H3,31,32,33,37,38)/t10-,17?,29+/m1/s1InChIKey
XATUHBAQIKHCTF-IVHFAOOZSA-NSynonyms
(2~(S)8~(R))7chloro5(4hydroxy35dimethoxyphenyl)46dimethoxy8methylspiro(1benzofuran2758910tetrahydro1~(H)pyrimido(45b)quinoline)2346tetrone
(2S8R)7chloro4hydroxy5(4hydroxy35dimethoxyphenyl)46dimethoxy8methyl58910tetrahydro2H3Hspiro(1benzofuran27pyrimido(45b)quinoline)236(1H)trione
132352338
InChI=1SC29H26ClN3O10c11061218(24(35)29(10)25(36)1913(392)914(403)21(30)23(19)4329)17(2026(3112)3228(38)3327(20)37)11715(414)22(34)16(811)425h7101734H6H215H3(H33132333738)t1017?29+m1s1
ZINC000824567532
ZINC000824567535
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