Vitas-M small molecule compound
methyl 6-{[(2S,6'R)-7-chloro-4,6-dimethoxy-6'-methyl-2',3-dioxo-3H-spiro[1-benzofuran-2,1'-cyclohex[3]en]-4'-yl]amino}-4-oxo-4H-chromene-2-carboxylate
Catalog ID
STL549505
SMILES COc1cc(OC)c(c2c1C(=O)[C@]1(O2)[C@H](C)CC(=CC1=O)Nc1ccc2c(c1)c(=O)cc(o2)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 C27H22ClNO9 MW 539.93 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H22ClNO9/c1-12-7-14(29-13-5-6-17-15(8-13)16(30)10-20(37-17)26(33)36-4)9-21(31)27(12)25(32)22-18(34-2)11-19(35-3)23(28)24(22)38-27/h5-6,8-12,29H,7H2,1-4H3/t12-,27+/m1/s1InChIKey
ZBUYGWKBXIFELQ-MUDIAHQHSA-NSynonyms
127252673
COc1cc(OC)c(c2c1C(=O)(C@)1(O2)(C@H)(C)CC(=CC1=O)Nc1ccc2c(c1)c(=O)cc(o2)C(=O)OC)Cl
InChI=1SC27H22ClNO9c112714(2913561715(813)16(30)1020(3717)26(33)364)921(31)27(12)25(32)2218(342)1119(353)23(28)24(22)3827h5681229H7H214H3t1227+m1s1
methyl6(((1S6R)7chloro46dimethoxy6methyl23dioxo3Hspiro(benzofuran21cyclohex(3)en)4yl)amino)4oxo4Hchromene2carboxylate
methyl6(((2~(S)5~(R))7chloro46dimethoxy5methyl33dioxospiro(1benzofuran24cyclohexene)1yl)amino)4oxochromene2carboxylate
methyl6(((2S6R)7chloro46dimethoxy6methyl23dioxo3Hspiro(1benzofuran21cyclohex(3)en)4yl)amino)4oxo4Hchromene2carboxylate
ZINC000604406034
ZINC604406034
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