Vitas-M small molecule compound
1,3-benzodioxol-5-ylmethyl 4-(2-chlorophenyl)-2-methyl-6-oxo-1,4,5,6-tetrahydropyridine-3-carboxylate
Catalog ID
STK406873
SMILES O=C1NC(=C(C(C1)c1ccccc1Cl)C(=O)OCc1ccc2c(c1)OCO2)C
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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 C21H18ClNO5 MW 399.83 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H18ClNO5/c1-12-20(15(9-19(24)23-12)14-4-2-3-5-16(14)22)21(25)26-10-13-6-7-17-18(8-13)28-11-27-17/h2-8,15H,9-11H2,1H3,(H,23,24)InChIKey
LOAVQBSOHKKSDT-UHFFFAOYSA-NSynonyms
13benzodioxol5ylmethyl4(2chlorophenyl)2methyl6oxo1456tetrahydropyridine3carboxylate
13benzodioxol5ylmethyl4(2chlorophenyl)6methyl2oxo34dihydro1Hpyridine5carboxylate
2HBENZO(34D)13DIOXOLEN5YLMETHYL4(2CHLOROPHENYL)2METHYL6OXO145TRIHYDROPYRIDINE3CARBOXYLATE
CC1=C(C(CC(=O)N1)C2=CC=CC=C2Cl)C(=O)OCC3=CC4=C(C=C3)OCO4
InChI=1SC21H18ClNO5c11220(15(919(24)2312)14423516(14)22)21(25)261013671718(813)28112717h2815H911H21H3(H2324)
MFCD07613419
ZINC000006819454
ZINC000006819455
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