Vitas-M small molecule compound
2-{5-[(2S,8'R)-7-chloro-4'-hydroxy-4,6-dimethoxy-8'-methyl-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
STL552353
SMILES COc1cc(OC)c(c2c1C(=O)[C@]1(O2)[C@H](C)CC2=C(C1=O)C(c1ccc(o1)c1ccccc1C(=O)O)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 C32H24ClN3O10 MW 646.01 g/mol Purity >90% as per NMR
InChI
InChI=1S/C32H24ClN3O10/c1-12-10-15-20(26(37)32(12)27(38)22-18(43-2)11-19(44-3)24(33)25(22)46-32)21(23-28(34-15)35-31(42)36-29(23)39)17-9-8-16(45-17)13-6-4-5-7-14(13)30(40)41/h4-9,11-12,21H,10H2,1-3H3,(H,40,41)(H3,34,35,36,39,42)/t12-,21?,32+/m1/s1InChIKey
HUMNZRWEVYXLTF-IYCZIWOQSA-NSynonyms
135640602
2(5((2~(S)8~(R))7chloro46dimethoxy8methyl2346tetraoxospiro(1benzofuran2758910tetrahydro1~(H)pyrimido(45b)quinoline)5yl)furan2yl)benzoicacid
2(5((2S8R)7chloro4hydroxy46dimethoxy8methyl236trioxo1568910hexahydro2H3Hspiro(1benzofuran27pyrimido(45b)quinolin)5yl)furan2yl)benzoicacid
InChI=1SC32H24ClN3O10c112101520(26(37)32(12)27(38)2218(432)1119(443)24(33)25(22)4632)21(2328(3415)3531(42)3629(23)39)179816(4517)13645714(13)30(40)41h49111221H10H213H3(H4041)(H33435363942)t1221?32+m1s1
ZINC001547138901
ZINC001547138902
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