Vitas-M small molecule compound
2-{5-[(2S,8'R)-7-chloro-4'-hydroxy-4,6-dimethoxy-1',8'-dimethyl-2',3,6'-trioxo-1',5',6',8',9',10'-hexahydro-2'H,3H-spiro[1-benzofuran-2,7'-pyrimido[4,5-b]quinolin]-5'-yl]furan-2-yl}benzoic acid
Catalog ID
STL552593
SMILES COc1cc(OC)c(c2c1C(=O)[C@]1(O2)[C@H](C)CC2=C(C1=O)C(c1ccc(o1)c1ccccc1C(=O)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 C33H26ClN3O10 MW 660.04 g/mol Purity >90% as per NMR
InChI
InChI=1S/C33H26ClN3O10/c1-13-11-16-21(27(38)33(13)28(39)23-19(44-3)12-20(45-4)25(34)26(23)47-33)22(24-29(35-16)37(2)32(43)36-30(24)40)18-10-9-17(46-18)14-7-5-6-8-15(14)31(41)42/h5-10,12-13,22,35H,11H2,1-4H3,(H,41,42)(H,36,40,43)/t13-,22?,33+/m1/s1InChIKey
OJDMYCZILNAHRA-LNHOSXGZSA-NSynonyms
132352246
2(5((2~(S)8~(R))7chloro46dimethoxy18dimethyl2346tetraoxospiro(1benzofuran2758910tetrahydropyrimido(45b)quinoline)5yl)furan2yl)benzoicacid
2(5((2S8R)7chloro4hydroxy46dimethoxy18dimethyl236trioxo1568910hexahydro2H3Hspiro(1benzofuran27pyrimido(45b)quinolin)5yl)furan2yl)benzoicacid
InChI=1SC33H26ClN3O10c113111621(27(38)33(13)28(39)2319(443)1220(454)25(34)26(23)4733)22(2429(3516)37(2)32(43)3630(24)40)1810917(4618)14756815(14)31(41)42h51012132235H11H214H3(H4142)(H364043)t1322?33+m1s1
ZINC000824567232
ZINC000824567233
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