Vitas-M small molecule compound
4-methylbenzyl 4-(6-bromo-1,3-benzodioxol-5-yl)-2-methyl-6-oxo-1,4,5,6-tetrahydropyridine-3-carboxylate
Catalog ID
STK406357
SMILES O=C1NC(=C(C(C1)c1cc2OCOc2cc1Br)C(=O)OCc1ccc(cc1)C)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 C22H20BrNO5 MW 458.31 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H20BrNO5/c1-12-3-5-14(6-4-12)10-27-22(26)21-13(2)24-20(25)8-16(21)15-7-18-19(9-17(15)23)29-11-28-18/h3-7,9,16H,8,10-11H2,1-2H3,(H,24,25)InChIKey
QDJWFYHUVFCMGN-UHFFFAOYSA-NSynonyms
(4METHYLPHENYL)METHYL4(6BROMO(2HBENZO(D)13DIOXOLAN5YL))2METHYL6OXO145TRIHYDROPYRIDINE3CARBOXYLATE
(4METHYLPHENYL)METHYL4(6BROMO13BENZODIOXOL5YL)6METHYL2OXO34DIHYDRO1HPYRIDINE5CARBOXYLATE
4methylbenzyl4(6bromo13benzodioxol5yl)2methyl6oxo1456tetrahydropyridine3carboxylate
CC1=CC=C(C=C1)COC(=O)C2=C(NC(=O)CC2C3=CC4=C(C=C3Br)OCO4)C
InChI=1SC22H20BrNO5c1123514(6412)102722(26)2113(2)2420(25)816(21)1571819(917(15)23)29112818h37916H81011H212H3(H2425)
MFCD06761478
ZINC000009559859
ZINC000009559860
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