Vitas-M small molecule compound
ethyl 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}piperidine-1-carboxylate
Catalog ID
STL551446
SMILES CCOC(=O)N1CCC(CC1)NC1=CC(=O)[C@]2([C@@H](C1)C)Oc1c(C2=O)c(OC)cc(c1Cl)OC
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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 C24H29ClN2O7 MW 492.96 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H29ClN2O7/c1-5-33-23(30)27-8-6-14(7-9-27)26-15-10-13(2)24(18(28)11-15)22(29)19-16(31-3)12-17(32-4)20(25)21(19)34-24/h11-14,26H,5-10H2,1-4H3/t13-,24+/m1/s1InChIKey
AHTLPGDQJRYBOL-OZAJXLCCSA-NSynonyms
127252555
CCOC(=O)N1CCC(CC1)NC1=CC(=O)(C@)2((C@@H)(C1)C)Oc1c(C2=O)c(OC)cc(c1Cl)OC
ethyl4(((1S6R)7chloro46dimethoxy6methyl23dioxo3Hspiro(benzofuran21cyclohex(3)en)4yl)amino)piperidine1carboxylate
ethyl4(((2~(S)5~(R))7chloro46dimethoxy5methyl33dioxospiro(1benzofuran24cyclohexene)1yl)amino)piperidine1carboxylate
ethyl4(((2S6R)7chloro46dimethoxy6methyl23dioxo3Hspiro(1benzofuran21cyclohex(3)en)4yl)amino)piperidine1carboxylate
InChI=1SC24H29ClN2O7c153323(30)278614(7927)26151013(2)24(18(28)1115)22(29)1916(313)1217(324)20(25)21(19)3424h111426H510H214H3t1324+m1s1
ZINC000604404048
ZINC604404048
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