Vitas-M small molecule compound
cyclooctyl 4-(6-bromo-1,3-benzodioxol-5-yl)-2-methyl-6-oxo-1,4,5,6-tetrahydropyridine-3-carboxylate
Catalog ID
STK406345
SMILES O=C1NC(=C(C(C1)c1cc2OCOc2cc1Br)C(=O)OC1CCCCCCC1)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 C22H26BrNO5 MW 464.36 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H26BrNO5/c1-13-21(22(26)29-14-7-5-3-2-4-6-8-14)16(10-20(25)24-13)15-9-18-19(11-17(15)23)28-12-27-18/h9,11,14,16H,2-8,10,12H2,1H3,(H,24,25)InChIKey
CZVHUYZQVDZEOU-UHFFFAOYSA-NSynonyms
4(6BROMO13BENZODIOXOL5YL)2KETO6METHYL34DIHYDRO1HPYRIDINE5CARBOXYLICACIDCYCLOOCTYLESTER
4(6BROMO13BENZODIOXOL5YL)6METHYL2OXO34DIHYDRO1HPYRIDINE5CARBOXYLICACIDCYCLOOCTYLESTER
CC1=C(C(CC(=O)N1)C2=CC3=C(C=C2Br)OCO3)C(=O)OC4CCCCCCC4
CYCLOOCTYL4(6BROMANYL13BENZODIOXOL5YL)6METHYL2OXIDANYLIDENE34DIHYDRO1HPYRIDINE5CARBOXYLATE
CYCLOOCTYL4(6BROMO(2HBENZO(D)13DIOXOLAN5YL))2METHYL6OXO145TRIHYDROPYRIDINE3CARBOXYLATE
cyclooctyl4(6bromo13benzodioxol5yl)2methyl6oxo1456tetrahydropyridine3carboxylate
CYCLOOCTYL4(6BROMO13BENZODIOXOL5YL)6METHYL2OXO34DIHYDRO1HPYRIDINE5CARBOXYLATE
InChI=1SC22H26BrNO5c11321(22(26)2914753246814)16(1020(25)2413)1591819(1117(15)23)28122718h9111416H281012H21H3(H2425)
MFCD06759527
ZINC000008680365
ZINC000008680366
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