Vitas-M small molecule compound
(1S,5R)-N-{(2S)-1-[(2-ethylphenyl)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
STL545935
SMILES CCc1ccccc1NC(=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 C25H32N4O3 MW 436.55 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H32N4O3/c1-4-18-8-5-6-9-20(18)26-24(31)23(16(2)3)27-25(32)28-13-17-12-19(15-28)21-10-7-11-22(30)29(21)14-17/h5-11,16-17,19,23H,4,12-15H2,1-3H3,(H,26,31)(H,27,32)/t17-,19+,23-/m0/s1InChIKey
QABLATHOPYSBCI-GWJPWWOOSA-NSynonyms
(1R5R)N((S)1((2ethylphenyl)amino)3methyl1oxobutan2yl)8oxo4568tetrahydro1H15methanopyrido(12a)(15)diazocine3(2H)carboxamide
(1S5R)N((2S)1((2ethylphenyl)amino)3methyl1oxobutan2yl)8oxo1568tetrahydro2H15methanopyrido(12a)(15)diazocine3(4H)carboxamide
CCc1ccccc1NC(=O)(C@H)(C(C)C)NC(=O)N1C(C@H)2C(C@@H)(C1)c1n(C2)c(=O)ccc1
InChI=1SC25H32N4O3c1418856920(18)2624(31)23(16(2)3)2725(32)2813171219(1528)211071122(30)29(21)1417h51116171923H41215H213H3(H2631)(H2732)t1719+23m0s1
ZINC000002150406
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