Vitas-M small molecule compound
2-[(3-benzyl-4-methyl-2-oxo-2H-chromen-7-yl)oxy]-N-[(1S,9aR)-octahydro-2H-quinolizin-1-ylmethyl]acetamide
Catalog ID
STL538786
SMILES O=C(COc1ccc2c(c1)oc(=O)c(c2C)Cc1ccccc1)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 C29H34N2O4 MW 474.60 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H34N2O4/c1-20-24-13-12-23(17-27(24)35-29(33)25(20)16-21-8-3-2-4-9-21)34-19-28(32)30-18-22-10-7-15-31-14-6-5-11-26(22)31/h2-4,8-9,12-13,17,22,26H,5-7,10-11,14-16,18-19H2,1H3,(H,30,32)/t22-,26+/m0/s1InChIKey
LQNKNPIPMYHOEL-BKMJKUGQSA-NSynonyms
~(N)(((1~(S)9~(a)~(R))23467899~(a)octahydro1~(H)quinolizin1yl)methyl)2(3benzyl4methyl2oxochromen7yl)oxyacetamide
2((3benzyl4methyl2oxo2Hchromen7yl)oxy)N(((1S9aR)octahydro1Hquinolizin1yl)methyl)acetamide
2((3benzyl4methyl2oxo2Hchromen7yl)oxy)N((1S9aR)octahydro2Hquinolizin1ylmethyl)acetamide
71753830
InChI=1SC29H34N2O4c12024131223(1727(24)3529(33)25(20)16218324921)341928(32)301822107153114651126(22)31h24891213172226H57101114161819H21H3(H3032)t2226+m0s1
O=C(COc1ccc2c(c1)oc(=O)c(c2C)Cc1ccccc1)NC(C@@H)1CCCN2(C@@H)1CCCC2
ZINC000079189620
ZINC79189620
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