Vitas-M small molecule compound
N-[2-(3,4-dimethoxyphenyl)ethyl]-4-oxo-4-[(1S,5R)-8-oxo-1,5,6,8-tetrahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocin-3(4H)-yl]butanamide
Catalog ID
STL525644
SMILES COc1ccc(cc1OC)CCNC(=O)CCC(=O)N1C[C@H]2C[C@@H](C1)c1n(C2)c(=O)ccc1
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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 C25H31N3O5 MW 453.54 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H31N3O5/c1-32-21-7-6-17(13-22(21)33-2)10-11-26-23(29)8-9-24(30)27-14-18-12-19(16-27)20-4-3-5-25(31)28(20)15-18/h3-7,13,18-19H,8-12,14-16H2,1-2H3,(H,26,29)/t18-,19+/m0/s1InChIKey
YLPJBIIAJUXMIW-RBUKOAKNSA-NSynonyms
COc1ccc(cc1OC)CCNC(=O)CCC(=O)N1C(C@@H)2C(C@@H)(C1)c1n(C2)c(=O)ccc1
InChI=1SC25H31N3O5c132217617(1322(21)332)10112623(29)8924(30)2714181219(1627)2043525(31)28(20)1518h37131819H8121416H212H3(H2629)t1819+m0s1
MFCD01544336
N(2(34dimethoxyphenyl)ethyl)4oxo4((1S5R)8oxo1568tetrahydro2H15methanopyrido(12a)(15)diazocin3(4H)yl)butanamide
N(34dimethoxyphenethyl)4oxo4((1R5S)8oxo56dihydro1H15methanopyrido(12a)(15)diazocin3(2H4H8H)yl)butanamide
ZINC000012653713
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