Vitas-M small molecule compound
(2S,8'R)-7-chloro-4'-hydroxy-4,6-dimethoxy-8'-methyl-5'-(quinolin-6-yl)-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
STL551747
SMILES COc1cc(OC)c(c2c1C(=O)[C@]1(O2)[C@H](C)CC2=C(C1=O)C(c1ccc3c(c1)cccn3)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 C30H23ClN4O7 MW 586.99 g/mol Purity >90% as per NMR
InChI
InChI=1S/C30H23ClN4O7/c1-12-9-16-20(25(36)30(12)26(37)21-17(40-2)11-18(41-3)23(31)24(21)42-30)19(22-27(33-16)34-29(39)35-28(22)38)14-6-7-15-13(10-14)5-4-8-32-15/h4-8,10-12,19H,9H2,1-3H3,(H3,33,34,35,38,39)/t12-,19?,30+/m1/s1InChIKey
JLBIZDASTWIAQG-YJRUYWAISA-NSynonyms
(2~(S)8~(R))7chloro46dimethoxy8methyl5quinolin6ylspiro(1benzofuran2758910tetrahydro1~(H)pyrimido(45b)quinoline)2346tetrone
(2S8R)7chloro4hydroxy46dimethoxy8methyl5(quinolin6yl)58910tetrahydro2H3Hspiro(1benzofuran27pyrimido(45b)quinoline)236(1H)trione
132352335
InChI=1SC30H23ClN4O7c11291620(25(36)30(12)26(37)2117(402)1118(413)23(31)24(21)4230)19(2227(3316)3429(39)3528(22)38)14671513(1014)5483215h48101219H9H213H3(H33334353839)t1219?30+m1s1
ZINC000824567095
ZINC000824567096
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