Vitas-M small molecule compound

2-[(8,8-dimethyl-2-oxo-4-phenyl-9,10-dihydro-2H,8H-pyrano[2,3-f]chromen-5-yl)oxy]-N-[(1S,9aR)-octahydro-2H-quinolizin-1-ylmethyl]acetamide

Catalog ID
STL539033
SMILES O=C(COc1cc2OC(C)(C)CCc2c2c1c(cc(=O)o2)c1ccccc1)NC[C@@H]1CCCN2[C@@H]1CCCC2

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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 C32H38N2O5 MW 530.66 g/mol Purity >90% as per NMR
InChI
InChI=1S/C32H38N2O5/c1-32(2)14-13-23-26(39-32)18-27(30-24(17-29(36)38-31(23)30)21-9-4-3-5-10-21)37-20-28(35)33-19-22-11-8-16-34-15-7-6-12-25(22)34/h3-5,9-10,17-18,22,25H,6-8,11-16,19-20H2,1-2H3,(H,33,35)/t22-,25+/m0/s1
InChIKey
SYMGSGWGEWOZFB-WIOPSUGQSA-N
Synonyms
1442080-17-2
~(N)(((1~(S)9~(a)~(R))23467899~(a)octahydro1~(H)quinolizin1yl)methyl)2((88dimethyl2oxo4phenyl910dihydropyrano(23h)chromen5yl)oxy)acetamide
1442080172
2((88dimethyl2oxo4phenyl28910tetrahydropyrano(23f)chromen5yl)oxy)N(((1S9aR)octahydro1Hquinolizin1yl)methyl)acetamide
2((88dimethyl2oxo4phenyl910dihydro2H8Hpyrano(23f)chromen5yl)oxy)N((1S9aR)octahydro2Hquinolizin1ylmethyl)acetamide
71753801
InChI=1SC32H38N2O5c132(2)14132326(3932)1827(3024(1729(36)3831(23)30)2194351021)372028(35)331922118163415761225(22)34h3591017182225H6811161920H212H3(H3335)t2225+m0s1
O=C(COc1cc2OC(C)(C)CCc2c2c1c(cc(=O)o2)c1ccccc1)NC(C@@H)1CCCN2(C@@H)1CCCC2
ZINC000079189489
ZINC79189489

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Available files

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