Vitas-M small molecule compound
(1S,5S)-N-{(2S)-1-[(3-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
STL538047
SMILES Fc1cccc(c1)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 C23H27FN4O3 MW 426.49 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H27FN4O3/c1-14(2)21(22(30)25-18-6-3-5-17(24)10-18)26-23(31)27-11-15-9-16(13-27)19-7-4-8-20(29)28(19)12-15/h3-8,10,14-16,21H,9,11-13H2,1-2H3,(H,25,30)(H,26,31)/t15-,16+,21-/m0/s1InChIKey
LHHOIOMJLCOCJN-MRUHUIDDSA-NSynonyms
(1R5R)N((S)1((3fluorophenyl)amino)3methyl1oxobutan2yl)8oxo4568tetrahydro1H15methanopyrido(12a)(15)diazocine3(2H)carboxamide
(1S5S)N((2S)1((3fluorophenyl)amino)3methyl1oxobutan2yl)8oxo1568tetrahydro2H15methanopyrido(12a)(15)diazocine3(4H)carboxamide
Fc1cccc(c1)NC(=O)(C@H)(C(C)C)NC(=O)N1C(C@H)2C(C@@H)(C1)c1n(C2)c(=O)ccc1
InChI=1SC23H27FN4O3c114(2)21(22(30)251863517(24)1018)2623(31)271115916(1327)1974820(29)28(19)1215h3810141621H91113H212H3(H2530)(H2631)t1516+21m0s1
ZINC000002092561
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