Vitas-M small molecule compound
(1S,5S)-N-{(2S)-1-[(4-bromo-2-fluorophenyl)amino]-3-methyl-1-oxobutan-2-yl}-8-oxo-1,5,6,8-tetrahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocine-3(4H)-carboxamide
Catalog ID
STL537460
SMILES Brc1ccc(c(c1)F)NC(=O)[C@H](C(C)C)NC(=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 C23H26BrFN4O3 MW 505.39 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H26BrFN4O3/c1-13(2)21(22(31)26-18-7-6-16(24)9-17(18)25)27-23(32)28-10-14-8-15(12-28)19-4-3-5-20(30)29(19)11-14/h3-7,9,13-15,21H,8,10-12H2,1-2H3,(H,26,31)(H,27,32)/t14-,15+,21-/m0/s1InChIKey
YQJHENWNYCITAG-ZSDSOXJFSA-NSynonyms
(1R5R)N((S)1((4bromo2fluorophenyl)amino)3methyl1oxobutan2yl)8oxo4568tetrahydro1H15methanopyrido(12a)(15)diazocine3(2H)carboxamide
(1S5S)N((2S)1((4bromo2fluorophenyl)amino)3methyl1oxobutan2yl)8oxo1568tetrahydro2H15methanopyrido(12a)(15)diazocine3(4H)carboxamide
Brc1ccc(c(c1)F)NC(=O)(C@H)(C(C)C)NC(=O)N1C(C@H)2C(C@@H)(C1)c1n(C2)c(=O)ccc1
InChI=1SC23H26BrFN4O3c113(2)21(22(31)26187616(24)917(18)25)2723(32)281014815(1228)1943520(30)29(19)1114h379131521H81012H212H3(H2631)(H2732)t1415+21m0s1
ZINC000002093127
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