Vitas-M small molecule compound
(2S,8'R)-7-chloro-4'-hydroxy-4,6-dimethoxy-5'-(7-methoxy-1,3-benzodioxol-5-yl)-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
STL551876
SMILES COc1cc(OC)c(c2c1C(=O)[C@]1(O2)[C@H](C)CC2=C(C1=O)C(c1cc(OC)c3c(c1)OCO3)c1c(N2)n(C)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 C30H26ClN3O10 MW 624.00 g/mol Purity >90% as per NMR
InChI
InChI=1S/C30H26ClN3O10/c1-11-6-13-19(25(35)30(11)26(36)20-14(39-3)9-15(40-4)22(31)24(20)44-30)18(21-27(32-13)34(2)29(38)33-28(21)37)12-7-16(41-5)23-17(8-12)42-10-43-23/h7-9,11,18,32H,6,10H2,1-5H3,(H,33,37,38)/t11-,18?,30+/m1/s1InChIKey
KQRGJOSGOIZSIL-GIYRFLMWSA-NSynonyms
(2~(S)8~(R))7chloro46dimethoxy5(7methoxy13benzodioxol5yl)18dimethylspiro(1benzofuran2758910tetrahydropyrimido(45b)quinoline)2346tetrone
(2S8R)7chloro4hydroxy46dimethoxy5(7methoxy13benzodioxol5yl)18dimethyl58910tetrahydro2H3Hspiro(1benzofuran27pyrimido(45b)quinoline)236(1H)trione
132352212
InChI=1SC30H26ClN3O10c11161319(25(35)30(11)26(36)2014(393)915(404)22(31)24(20)4430)18(2127(3213)34(2)29(38)3328(21)37)12716(415)2317(812)42104323h79111832H610H215H3(H333738)t1118?30+m1s1
ZINC000824567103
ZINC000824567104
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