Vitas-M small molecule compound
(1S,5S)-N-{(2S)-1-[(3-fluorophenyl)amino]-1-oxopropan-2-yl}-8-oxo-1,5,6,8-tetrahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocine-3(4H)-carboxamide
Catalog ID
STL548397
SMILES Fc1cccc(c1)NC(=O)[C@@H](NC(=O)N1C[C@H]2C[C@@H](C1)c1n(C2)c(=O)ccc1)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 C21H23FN4O3 MW 398.44 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H23FN4O3/c1-13(20(28)24-17-5-2-4-16(22)9-17)23-21(29)25-10-14-8-15(12-25)18-6-3-7-19(27)26(18)11-14/h2-7,9,13-15H,8,10-12H2,1H3,(H,23,29)(H,24,28)/t13-,14-,15+/m0/s1InChIKey
GJLOQKPEKVPEGK-SOUVJXGZSA-NSynonyms
(1R5R)N((S)1((3fluorophenyl)amino)1oxopropan2yl)8oxo4568tetrahydro1H15methanopyrido(12a)(15)diazocine3(2H)carboxamide
(1S5S)N((2S)1((3fluorophenyl)amino)1oxopropan2yl)8oxo1568tetrahydro2H15methanopyrido(12a)(15)diazocine3(4H)carboxamide
Fc1cccc(c1)NC(=O)(C@@H)(NC(=O)N1C(C@H)2C(C@@H)(C1)c1n(C2)c(=O)ccc1)C
InChI=1SC21H23FN4O3c113(20(28)241752416(22)917)2321(29)251014815(1225)1863719(27)26(18)1114h2791315H81012H21H3(H2329)(H2428)t131415+m0s1
ZINC000002149155
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