Vitas-M small molecule compound
1,3-benzodioxol-5-ylmethyl 4-(2,3-dichlorophenyl)-2-methyl-6-oxo-1,4,5,6-tetrahydropyridine-3-carboxylate
Catalog ID
STK406875
SMILES O=C1NC(=C(C(C1)c1cccc(c1Cl)Cl)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 C21H17Cl2NO5 MW 434.28 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H17Cl2NO5/c1-11-19(14(8-18(25)24-11)13-3-2-4-15(22)20(13)23)21(26)27-9-12-5-6-16-17(7-12)29-10-28-16/h2-7,14H,8-10H2,1H3,(H,24,25)InChIKey
YJMXYZPLISFXDN-UHFFFAOYSA-NSynonyms
13benzodioxol5ylmethyl4(23dichlorophenyl)2methyl6oxo1456tetrahydropyridine3carboxylate
13BENZODIOXOL5YLMETHYL4(23DICHLOROPHENYL)6METHYL2OXO34DIHYDRO1HPYRIDINE5CARBOXYLATE
2HBENZO(34D)13DIOXOLEN5YLMETHYL4(23DICHLOROPHENYL)2METHYL6OXO145TRIHYDROPYRIDINE3CARBOXYLATE
CC1=C(C(CC(=O)N1)C2=C(C(=CC=C2)Cl)Cl)C(=O)OCC3=CC4=C(C=C3)OCO4
InChI=1SC21H17Cl2NO5c11119(14(818(25)2411)1332415(22)20(13)23)21(26)27912561617(712)29102816h2714H810H21H3(H2425)
MFCD07402511
ZINC000009560019
ZINC000009560020
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