Vitas-M small molecule compound
(2S,8'R)-7-chloro-4'-hydroxy-5'-(4-hydroxy-3,5-dimethoxyphenyl)-4,6-dimethoxy-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
STL550482
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)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 C30H28ClN3O10 MW 626.02 g/mol Purity >90% as per NMR
InChI
InChI=1S/C30H28ClN3O10/c1-11-7-13-19(25(36)30(11)26(37)20-14(40-3)10-15(41-4)22(31)24(20)44-30)18(12-8-16(42-5)23(35)17(9-12)43-6)21-27(32-13)34(2)29(39)33-28(21)38/h8-11,18,32,35H,7H2,1-6H3,(H,33,38,39)/t11-,18?,30+/m1/s1InChIKey
PFXNNIOMUJDMCU-GIYRFLMWSA-NSynonyms
(2~(S)8~(R))7chloro5(4hydroxy35dimethoxyphenyl)46dimethoxy18dimethylspiro(1benzofuran2758910tetrahydropyrimido(45b)quinoline)2346tetrone
(2S8R)7chloro4hydroxy5(4hydroxy35dimethoxyphenyl)46dimethoxy18dimethyl58910tetrahydro2H3Hspiro(1benzofuran27pyrimido(45b)quinoline)236(1H)trione
132351876
InChI=1SC30H28ClN3O10c11171319(25(36)30(11)26(37)2014(403)1015(414)22(31)24(20)4430)18(12816(425)23(35)17(912)436)2127(3213)34(2)29(39)3328(21)38h811183235H7H216H3(H333839)t1118?30+m1s1
ZINC000824567258
ZINC000824567261
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