Vitas-M small molecule compound
cyclohexylmethyl 4-(6-bromo-1,3-benzodioxol-5-yl)-2-methyl-6-oxo-1,4,5,6-tetrahydropyridine-3-carboxylate
Catalog ID
STK406331
SMILES O=C1NC(=C(C(C1)c1cc2OCOc2cc1Br)C(=O)OCC1CCCCC1)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)26-10-13-5-3-2-4-6-13)15(8-19(24)23-12)14-7-17-18(9-16(14)22)28-11-27-17/h7,9,13,15H,2-6,8,10-11H2,1H3,(H,23,24)InChIKey
UGAQAVJKTKFMMD-UHFFFAOYSA-NSynonyms
CC1=C(C(CC(=O)N1)C2=CC3=C(C=C2Br)OCO3)C(=O)OCC4CCCCC4
CYCLOHEXYLMETHYL4(6BROMO(2HBENZO(D)13DIOXOLAN5YL))2METHYL6OXO145TRIHYDROPYRIDINE3CARBOXYLATE
cyclohexylmethyl4(6bromo13benzodioxol5yl)2methyl6oxo1456tetrahydropyridine3carboxylate
cyclohexylmethyl4(6bromo13benzodioxol5yl)6methyl2oxo34dihydro1Hpyridine5carboxylate
InChI=1SC21H24BrNO5c11220(21(25)2610135324613)15(819(24)2312)1471718(916(14)22)28112717h791315H2681011H21H3(H2324)
MFCD06759514
ZINC000009559853
ZINC000009559854
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