Vitas-M small molecule compound

N-(bicyclo[2.2.1]hept-5-en-2-ylmethyl)-3-(4-hydroxy-3-methoxyphenyl)-3-(3-hydroxy-6-methyl-4-oxo-4H-pyran-2-yl)propanamide

Catalog ID
STL549277
SMILES COc1cc(ccc1O)C(c1oc(C)cc(=O)c1O)CC(=O)NCC1CC2CC1C=C2

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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 C24H27NO6 MW 425.48 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H27NO6/c1-13-7-20(27)23(29)24(31-13)18(16-5-6-19(26)21(10-16)30-2)11-22(28)25-12-17-9-14-3-4-15(17)8-14/h3-7,10,14-15,17-18,26,29H,8-9,11-12H2,1-2H3,(H,25,28)
InChIKey
MHNNQFTXUNBGAI-UHFFFAOYSA-N
Synonyms

~(N)(2bicyclo(221)hept5enylmethyl)3(4hydroxy3methoxyphenyl)3(3hydroxy6methyl4oxopyran2yl)propanamide
129895424
InChI=1SC24H27NO6c113720(27)23(29)24(3113)18(165619(26)21(1016)302)1122(28)2512179143415(17)814h3710141517182629H891112H212H3(H2528)
MFCD31756893
N(bicyclo(221)hept5en2ylmethyl)3(4hydroxy3methoxyphenyl)3(3hydroxy6methyl4oxo4Hpyran2yl)propanamide
ZINC000524731168
ZINC000524731171

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Available files

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