Vitas-M small molecule compound
methyl 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]benzoate
Catalog ID
STL549310
SMILES COc1cc(OC)c(c2c1C(=O)[C@]1(O2)[C@H](C)CC2=C(C1=O)C(CC(=O)N2)c1ccc(cc1)C(=O)OC)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 C27H24ClNO8 MW 525.94 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H24ClNO8/c1-12-9-16-20(15(10-19(30)29-16)13-5-7-14(8-6-13)26(33)36-4)24(31)27(12)25(32)21-17(34-2)11-18(35-3)22(28)23(21)37-27/h5-8,11-12,15H,9-10H2,1-4H3,(H,29,30)/t12-,15?,27+/m1/s1InChIKey
PUWLWCJKBPNAIK-JVBWFKBMSA-NSynonyms
129895031
COc1cc(OC)c(c2c1C(=O)(C@)1(O2)(C@H)(C)CC2=C(C1=O)C(CC(=O)N2)c1ccc(cc1)C(=O)OC)Cl
InChI=1SC27H24ClNO8c11291620(15(1019(30)2916)135714(8613)26(33)364)24(31)27(12)25(32)2117(342)1118(353)22(28)23(21)3727h58111215H910H214H3(H2930)t1215?27+m1s1
methyl4((2~(S)7~(R))7chloro46dimethoxy7methyl235trioxospiro(1benzofuran263478tetrahydro1~(H)quinoline)4yl)benzoate
methyl4((2S7R)7chloro46dimethoxy7methyl235trioxo134578hexahydro2H3Hspiro(1benzofuran26quinolin)4yl)benzoate
methyl4((2S7R)7chloro46dimethoxy7methyl235trioxo234578hexahydro1H3Hspiro(benzofuran26quinolin)4yl)benzoate
ZINC000524729978
ZINC000524729979
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