Vitas-M small molecule compound

butan-2-yl 4-(6-bromo-1,3-benzodioxol-5-yl)-2-methyl-6-oxo-1,4,5,6-tetrahydropyridine-3-carboxylate

Catalog ID
STK406705
SMILES CC1=C(C(CC(=O)N1)c1cc2OCOc2cc1Br)C(=O)OC(CC)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 C18H20BrNO5 MW 410.26 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H20BrNO5/c1-4-9(2)25-18(22)17-10(3)20-16(21)6-12(17)11-5-14-15(7-13(11)19)24-8-23-14/h5,7,9,12H,4,6,8H2,1-3H3,(H,20,21)
InChIKey
YAMVJGGHBCKWKB-UHFFFAOYSA-N
Synonyms

butan2yl4(6bromo13benzodioxol5yl)2methyl6oxo1456tetrahydropyridine3carboxylate
butan2yl4(6bromo13benzodioxol5yl)6methyl2oxo34dihydro1Hpyridine5carboxylate
CCC(C)OC(=O)C1=C(NC(=O)CC1C2=CC3=C(C=C2Br)OCO3)C
InChI=1SC18H20BrNO5c149(2)2518(22)1710(3)2016(21)612(17)1151415(713(11)19)2482314h57912H468H213H3(H2021)
METHYLPROPYL4(6BROMO(2HBENZO(D)13DIOXOLAN5YL))2METHYL6OXO145TRIHYDROPYRIDINE3CARBOXYLATE
MFCD07613300
ZINC000004916593
ZINC000004916609

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Available files

Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.