Vitas-M small molecule compound
1,3-benzodioxol-5-ylmethyl 4-(2-chloro-6-fluorophenyl)-2-methyl-6-oxo-1,4,5,6-tetrahydropyridine-3-carboxylate
Catalog ID
STK407001
SMILES O=C1NC(=C(C(C1)c1c(F)cccc1Cl)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 C21H17ClFNO5 MW 417.82 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H17ClFNO5/c1-11-19(13(8-18(25)24-11)20-14(22)3-2-4-15(20)23)21(26)27-9-12-5-6-16-17(7-12)29-10-28-16/h2-7,13H,8-10H2,1H3,(H,24,25)InChIKey
IMLCNRMATREJPD-UHFFFAOYSA-NSynonyms
13benzodioxol5ylmethyl4(2chloro6fluorophenyl)2methyl6oxo1456tetrahydropyridine3carboxylate
13BENZODIOXOL5YLMETHYL4(2CHLORO6FLUOROPHENYL)6METHYL2OXO34DIHYDRO1HPYRIDINE5CARBOXYLATE
2HBENZO(34D)13DIOXOLEN5YLMETHYL4(2CHLORO6FLUOROPHENYL)2METHYL6OXO145TRIHYDROPYRIDINE3CARBOXYLATE
CC1=C(C(CC(=O)N1)C2=C(C=CC=C2Cl)F)C(=O)OCC3=CC4=C(C=C3)OCO4
InChI=1SC21H17ClFNO5c11119(13(818(25)2411)2014(22)32415(20)23)21(26)27912561617(712)29102816h2713H810H21H3(H2425)
MFCD07402520
ZINC000009560071
ZINC000009560072
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