Vitas-M small molecule compound
2-[(3-benzyl-4,7-dimethyl-2-oxo-2H-chromen-5-yl)oxy]-N-(2-methoxyethyl)-N-[(1S,9aR)-octahydro-2H-quinolizin-1-ylmethyl]acetamide
Catalog ID
STL548933
SMILES COCCN(C(=O)COc1cc(C)cc2c1c(C)c(c(=O)o2)Cc1ccccc1)C[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 C33H42N2O5 MW 546.71 g/mol Purity >90% as per NMR
InChI
InChI=1S/C33H42N2O5/c1-23-18-29(32-24(2)27(33(37)40-30(32)19-23)20-25-10-5-4-6-11-25)39-22-31(36)35(16-17-38-3)21-26-12-9-15-34-14-8-7-13-28(26)34/h4-6,10-11,18-19,26,28H,7-9,12-17,20-22H2,1-3H3/t26-,28+/m0/s1InChIKey
BDUHBCMMMLJOBR-XTEPFMGCSA-NSynonyms
~(N)(((1~(S)9~(a)~(R))23467899~(a)octahydro1~(H)quinolizin1yl)methyl)2(3benzyl47dimethyl2oxochromen5yl)oxy~(N)(2methoxyethyl)acetamide
125427677
2((3benzyl47dimethyl2oxo2Hchromen5yl)oxy)N(2methoxyethyl)N(((1S9aR)octahydro1Hquinolizin1yl)methyl)acetamide
2((3benzyl47dimethyl2oxo2Hchromen5yl)oxy)N(2methoxyethyl)N((1S9aR)octahydro2Hquinolizin1ylmethyl)acetamide
COCCN(C(=O)COc1cc(C)cc2c1c(C)c(c(=O)o2)Cc1ccccc1)C(C@@H)1CCCN2(C@@H)1CCCC2
InChI=1SC33H42N2O5c1231829(3224(2)27(33(37)4030(32)1923)2025105461125)392231(36)35(1617383)2126129153414871328(26)34h46101118192628H7912172022H213H3t2628+m0s1
ZINC000524729062
ZINC524729062
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