Vitas-M small molecule compound
methyl 2-amino-4-(1,3-benzodioxol-5-yl)-1-(3-chloro-2-methylphenyl)-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Catalog ID
STL433390
SMILES COC(=O)C1=C(N)N(C2=C(C1c1ccc3c(c1)OCO3)C(=O)CCC2)c1cccc(c1C)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 C25H23ClN2O5 MW 466.92 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H23ClN2O5/c1-13-15(26)5-3-6-16(13)28-17-7-4-8-18(29)22(17)21(23(24(28)27)25(30)31-2)14-9-10-19-20(11-14)33-12-32-19/h3,5-6,9-11,21H,4,7-8,12,27H2,1-2H3InChIKey
SCDDABYMDBUZRK-UHFFFAOYSA-NSynonyms
CC1=C(C=CC=C1Cl)N2C3=C(C(C(=C2N)C(=O)OC)C4=CC5=C(C=C4)OCO5)C(=O)CCC3
InChI=1SC25H23ClN2O5c11315(26)53616(13)281774818(29)22(17)21(23(24(28)27)25(30)312)149101920(1114)33123219h35691121H4781227H212H3
methyl2amino4(13benzodioxol5yl)1(3chloro2methylphenyl)5oxo145678hexahydroquinoline3carboxylate
methyl2amino4(13benzodioxol5yl)1(3chloro2methylphenyl)5oxo4678tetrahydroquinoline3carboxylate
MFCD01240621
ZINC000000714650
ZINC000000714651
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