Vitas-M small molecule compound
(2S,8'R)-7-chloro-4'-hydroxy-4,6-dimethoxy-1'-[2-(4-methoxyphenyl)ethyl]-8'-methyl-8',9'-dihydro-2'H,3H-spiro[1-benzofuran-2,7'-pyrimido[4,5-b]quinoline]-2',3,6'(1'H)-trione
Catalog ID
STL551922
SMILES COc1ccc(cc1)CCn1c(=O)nc(c2c1nc1C[C@@H](C)[C@@]3(C(=O)c1c2)Oc1c(C3=O)c(OC)cc(c1Cl)OC)O
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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 C30H26ClN3O8 MW 592.00 g/mol Purity >90% as per NMR
InChI
InChI=1S/C30H26ClN3O8/c1-14-11-19-17(25(35)30(14)26(36)22-20(40-3)13-21(41-4)23(31)24(22)42-30)12-18-27(32-19)34(29(38)33-28(18)37)10-9-15-5-7-16(39-2)8-6-15/h5-8,12-14H,9-11H2,1-4H3,(H,33,37,38)/t14-,30+/m1/s1InChIKey
PJWDJDBQWSRYQK-WYIRRWHOSA-NSynonyms
(2~(S)8~(R))7chloro46dimethoxy1(2(4methoxyphenyl)ethyl)8methylspiro(1benzofuran2789dihydropyrimido(45b)quinoline)2346tetrone
(2S8R)7chloro4hydroxy46dimethoxy1(2(4methoxyphenyl)ethyl)8methyl89dihydro2H3Hspiro(1benzofuran27pyrimido(45b)quinoline)236(1H)trione
132352086
InChI=1SC30H26ClN3O8c114111917(25(35)30(14)26(36)2220(403)1321(414)23(31)24(22)4230)121827(3219)34(29(38)3328(18)37)109155716(392)8615h581214H911H214H3(H333738)t1430+m1s1
ZINC000824668756
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