Vitas-M small molecule compound
pentyl 4-(6-chloro-1,3-benzodioxol-5-yl)-2-methyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Catalog ID
STK373689
SMILES CCCCCOC(=O)C1=C(C)NC2=C(C1c1cc3OCOc3cc1Cl)C(=O)CCC2
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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 C23H26ClNO5 MW 431.92 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H26ClNO5/c1-3-4-5-9-28-23(27)20-13(2)25-16-7-6-8-17(26)22(16)21(20)14-10-18-19(11-15(14)24)30-12-29-18/h10-11,21,25H,3-9,12H2,1-2H3InChIKey
MIHYTYDTBCYMMT-UHFFFAOYSA-NSynonyms
CCCCCOC(=O)C1=C(NC2=C(C1C3=CC4=C(C=C3Cl)OCO4)C(=O)CCC2)C
InChI=1SC23H26ClNO5c134592823(27)2013(2)251676817(26)22(16)21(20)14101819(1115(14)24)30122918h10112125H3912H212H3
MFCD00816340
pentyl4(6chloro13benzodioxol5yl)2methyl5oxo145678hexahydroquinoline3carboxylate
pentyl4(6chloro13benzodioxol5yl)2methyl5oxo4678tetrahydro1Hquinoline3carboxylate
ZINC000002058800
ZINC000002058801
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