Vitas-M small molecule compound
methyl 5-({[(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}methyl)furan-2-carboxylate
Catalog ID
STL550813
SMILES COc1cc(OC)c(c2c1C(=O)[C@]1(O2)[C@H](C)CC(=CC1=O)NCc1ccc(o1)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 C23H22ClNO8 MW 475.88 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H22ClNO8/c1-11-7-12(25-10-13-5-6-14(32-13)22(28)31-4)8-17(26)23(11)21(27)18-15(29-2)9-16(30-3)19(24)20(18)33-23/h5-6,8-9,11,25H,7,10H2,1-4H3/t11-,23+/m1/s1InChIKey
CTPCEMKKDJNCTG-BGJPBQGDSA-NSynonyms
127253426
COc1cc(OC)c(c2c1C(=O)(C@)1(O2)(C@H)(C)CC(=CC1=O)NCc1ccc(o1)C(=O)OC)Cl
InChI=1SC23H22ClNO8c111712(2510135614(3213)22(28)314)817(26)23(11)21(27)1815(292)916(303)19(24)20(18)3323h56891125H710H214H3t1123+m1s1
methyl5((((1S6R)7chloro46dimethoxy6methyl23dioxo3Hspiro(benzofuran21cyclohex(3)en)4yl)amino)methyl)furan2carboxylate
methyl5((((2~(S)5~(R))7chloro46dimethoxy5methyl33dioxospiro(1benzofuran24cyclohexene)1yl)amino)methyl)furan2carboxylate
methyl5((((2S6R)7chloro46dimethoxy6methyl23dioxo3Hspiro(1benzofuran21cyclohex(3)en)4yl)amino)methyl)furan2carboxylate
ZINC000604404361
ZINC604404361
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