Vitas-M small molecule compound
{4-[(2S,7'R)-7-chloro-4,6-dimethoxy-7'-methyl-2',3,5'-trioxo-1',3',4',5',7',8'-hexahydro-2'H,3H-spiro[1-benzofuran-2,6'-quinolin]-4'-yl]phenoxy}acetic acid
Catalog ID
STL551571
SMILES COc1cc(OC)c(c2c1C(=O)[C@]1(O2)[C@H](C)CC2=C(C1=O)C(CC(=O)N2)c1ccc(cc1)OCC(=O)O)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 C27H24ClNO9 MW 541.94 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H24ClNO9/c1-12-8-16-21(15(9-19(30)29-16)13-4-6-14(7-5-13)37-11-20(31)32)25(33)27(12)26(34)22-17(35-2)10-18(36-3)23(28)24(22)38-27/h4-7,10,12,15H,8-9,11H2,1-3H3,(H,29,30)(H,31,32)/t12-,15?,27+/m1/s1InChIKey
IYKBIUYEKKFWJE-JVBWFKBMSA-NSynonyms
(4((2S7R)7chloro46dimethoxy7methyl235trioxo134578hexahydro2H3Hspiro(1benzofuran26quinolin)4yl)phenoxy)aceticacid
129895199
2(4((2~(S)7~(R))7chloro46dimethoxy7methyl235trioxospiro(1benzofuran263478tetrahydro1~(H)quinoline)4yl)phenoxy)aceticacid
2(4((2S7R)7chloro46dimethoxy7methyl235trioxo234578hexahydro1H3Hspiro(benzofuran26quinolin)4yl)phenoxy)aceticacid
COc1cc(OC)c(c2c1C(=O)(C@)1(O2)(C@H)(C)CC2=C(C1=O)C(CC(=O)N2)c1ccc(cc1)OCC(=O)O)Cl
InChI=1SC27H24ClNO9c11281621(15(919(30)2916)134614(7513)371120(31)32)25(33)27(12)26(34)2217(352)1018(363)23(28)24(22)3827h47101215H8911H213H3(H2930)(H3132)t1215?27+m1s1
ZINC000524730431
ZINC000524730432
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