Vitas-M small molecule compound
N-[(4-{[(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}phenyl)carbonyl]glycine
Catalog ID
STL551074
SMILES COc1cc(OC)c(c2c1C(=O)[C@]1(O2)[C@H](C)CC(=CC1=O)Nc1ccc(cc1)C(=O)NCC(=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 C25H23ClN2O8 MW 514.92 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H23ClN2O8/c1-12-8-15(28-14-6-4-13(5-7-14)24(33)27-11-19(30)31)9-18(29)25(12)23(32)20-16(34-2)10-17(35-3)21(26)22(20)36-25/h4-7,9-10,12,28H,8,11H2,1-3H3,(H,27,33)(H,30,31)/t12-,25+/m1/s1InChIKey
JGSPFNDXMQZBES-YDBLSZJJSA-NSynonyms
125428396
2((4(((2~(S)5~(R))7chloro46dimethoxy5methyl33dioxospiro(1benzofuran24cyclohexene)1yl)amino)benzoyl)amino)aceticacid
2(4(((1S6R)7chloro46dimethoxy6methyl23dioxo3Hspiro(benzofuran21cyclohex(3)en)4yl)amino)benzamido)aceticacid
COc1cc(OC)c(c2c1C(=O)(C@)1(O2)(C@H)(C)CC(=CC1=O)Nc1ccc(cc1)C(=O)NCC(=O)O)Cl
InChI=1SC25H23ClN2O8c112815(28146413(5714)24(33)271119(30)31)918(29)25(12)23(32)2016(342)1017(353)21(26)22(20)3625h479101228H811H213H3(H2733)(H3031)t1225+m1s1
N((4(((2S6R)7chloro46dimethoxy6methyl23dioxo3Hspiro(1benzofuran21cyclohex(3)en)4yl)amino)phenyl)carbonyl)glycine
ZINC000524729785
ZINC524729785
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