Vitas-M small molecule compound
N-{3-methyl-1-oxo-1-[(1S,5S)-8-oxo-1,5,6,8-tetrahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocin-3(4H)-yl]pentan-2-yl}acetamide
Catalog ID
STL526511
SMILES CCC(C(C(=O)N1C[C@H]2C[C@@H](C1)c1n(C2)c(=O)ccc1)NC(=O)C)C
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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 C19H27N3O3 MW 345.44 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H27N3O3/c1-4-12(2)18(20-13(3)23)19(25)21-9-14-8-15(11-21)16-6-5-7-17(24)22(16)10-14/h5-7,12,14-15,18H,4,8-11H2,1-3H3,(H,20,23)/t12?,14-,15-,18?/m0/s1InChIKey
JYMAHYMXWBVPRI-TYTGLVAOSA-NSynonyms
~(N)(3methyl1oxo1((1~(S)9~(S))6oxo711diazatricyclo(7310^(27))trideca24dien11yl)pentan2yl)acetamide
16401841
CCC((C@@H)(C(=O)N1C(C@@H)2C(C@H)(C1)c1n(C2)c(=O)ccc1)NC(=O)C)C
InChI=1SC19H27N3O3c1412(2)18(2013(3)23)19(25)21914815(1121)1665717(24)22(16)1014h5712141518H4811H213H3(H2023)t12?141518?m0s1
MFCD02926211
N((2S)3methyl1oxo1((1R5S)8oxo56dihydro1H15methanopyrido(12a)(15)diazocin3(2H4H8H)yl)pentan2yl)acetamide
N(3methyl1oxo1((1S5S)8oxo1568tetrahydro2H15methanopyrido(12a)(15)diazocin3(4H)yl)pentan2yl)acetamide
ZINC000100767434
ZINC000100767444
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