Vitas-M small molecule compound
methyl N-{[(1R,5R)-8-oxo-1,5,6,8-tetrahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocin-3(4H)-yl]carbonyl}-beta-alaninate
Catalog ID
STL528037
SMILES COC(=O)CCNC(=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 C16H21N3O4 MW 319.36 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H21N3O4/c1-23-15(21)5-6-17-16(22)18-8-11-7-12(10-18)13-3-2-4-14(20)19(13)9-11/h2-4,11-12H,5-10H2,1H3,(H,17,22)/t11-,12+/m0/s1InChIKey
POUHBDQHVOKRRI-NWDGAFQWSA-NSynonyms
1800633
COC(=O)CCNC(=O)N1C(C@@H)2C(C@H)(C1)c1n(C2)c(=O)ccc1
InChI=1SC16H21N3O4c12315(21)561716(22)18811712(1018)1332414(20)19(13)911h241112H510H21H3(H1722)t1112+m0s1
methyl3(((1~(R)9~(R))6oxo711diazatricyclo(7310^(27))trideca24diene11carbonyl)amino)propanoate
methyl3((1R5R)8oxo234568hexahydro1H15methanopyrido(12a)(15)diazocine3carboxamido)propanoate
methylN(((1R5R)8oxo1568tetrahydro2H15methanopyrido(12a)(15)diazocin3(4H)yl)carbonyl)betaalaninate
MFCD03851633
ZINC000002149749
ZINC2149749
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