Vitas-M small molecule compound
(1S,5S)-N-(4-fluoro-3-nitrophenyl)-8-oxo-1,5,6,8-tetrahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocine-3(4H)-carboxamide
Catalog ID
STL048416
SMILES O=C(N1C[C@H]2C[C@@H](C1)c1n(C2)c(=O)ccc1)Nc1ccc(c(c1)[N+](=O)[O-])F
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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 C18H17FN4O4 MW 372.36 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H17FN4O4/c19-14-5-4-13(7-16(14)23(26)27)20-18(25)21-8-11-6-12(10-21)15-2-1-3-17(24)22(15)9-11/h1-5,7,11-12H,6,8-10H2,(H,20,25)/t11-,12+/m0/s1InChIKey
RMXBUIIYBFDSLU-NWDGAFQWSA-NSynonyms
(1R5R)N(4fluoro3nitrophenyl)8oxo4568tetrahydro1H15methanopyrido(12a)(15)diazocine3(2H)carboxamide
(1S5S)N(4fluoro3nitrophenyl)8oxo1568tetrahydro2H15methanopyrido(12a)(15)diazocine3(4H)carboxamide
C1C2CN(CC1C3=CC=CC(=O)N3C2)C(=O)NC4=CC(=C(C=C4)F)(N+)(=O)(O)
InChI=1SC18H17FN4O4c19145413(716(14)23(26)27)2018(25)21811612(1021)1521317(24)22(15)911h1571112H6810H2(H2025)t1112+m1s1
MFCD18249195
O=C(N1C(C@H)2C(C@@H)(C1)c1n(C2)c(=O)ccc1)Nc1ccc(c(c1)(N+)(=O)(O))F
ZINC000005529523
ZINC05529523
ZINC5529523
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