Vitas-M small molecule compound
cycloheptyl 4-(6-bromo-1,3-benzodioxol-5-yl)-2-methyl-6-oxo-1,4,5,6-tetrahydropyridine-3-carboxylate
Catalog ID
STK406367
SMILES O=C1NC(=C(C(C1)c1cc2OCOc2cc1Br)C(=O)OC1CCCCCC1)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 C21H24BrNO5 MW 450.33 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H24BrNO5/c1-12-20(21(25)28-13-6-4-2-3-5-7-13)15(9-19(24)23-12)14-8-17-18(10-16(14)22)27-11-26-17/h8,10,13,15H,2-7,9,11H2,1H3,(H,23,24)InChIKey
VEECMSPDIPAHAX-UHFFFAOYSA-NSynonyms
847509-11-9847509119
CC1=C(C(CC(=O)N1)C2=CC3=C(C=C2Br)OCO3)C(=O)OC4CCCCCC4
cycloheptyl4(6bromo13benzodioxol5yl)2methyl6oxo1456tetrahydropyridine3carboxylate
cycloheptyl4(6bromo13benzodioxol5yl)6methyl2oxo34dihydro1Hpyridine5carboxylate
InChI=1SC21H24BrNO5c11220(21(25)281364235713)15(919(24)2312)1481718(1016(14)22)27112617h8101315H27911H21H3(H2324)
MFCD06759548
ZINC000009559863
ZINC000009559864
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