Vitas-M small molecule compound
(1S,5S)-N-{(2S)-1-[(5-chloro-2,4-dimethoxyphenyl)amino]-4-methyl-1-oxopentan-2-yl}-8-oxo-1,5,6,8-tetrahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocine-3(4H)-carboxamide
Catalog ID
STL528750
SMILES COc1cc(OC)c(cc1NC(=O)[C@@H](NC(=O)N1C[C@H]2C[C@@H](C1)c1n(C2)c(=O)ccc1)CC(C)C)Cl
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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 C26H33ClN4O5 MW 517.02 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H33ClN4O5/c1-15(2)8-20(25(33)28-19-10-18(27)22(35-3)11-23(19)36-4)29-26(34)30-12-16-9-17(14-30)21-6-5-7-24(32)31(21)13-16/h5-7,10-11,15-17,20H,8-9,12-14H2,1-4H3,(H,28,33)(H,29,34)/t16-,17+,20-/m0/s1InChIKey
MECMKPWWZQRFON-QKLQHJQFSA-NSynonyms
(1R5R)N((S)1((5chloro24dimethoxyphenyl)amino)4methyl1oxopentan2yl)8oxo4568tetrahydro1H15methanopyrido(12a)(15)diazocine3(2H)carboxamide
(1S5S)N((2S)1((5chloro24dimethoxyphenyl)amino)4methyl1oxopentan2yl)8oxo1568tetrahydro2H15methanopyrido(12a)(15)diazocine3(4H)carboxamide
COc1cc(OC)c(cc1NC(=O)(C@@H)(NC(=O)N1C(C@H)2C(C@@H)(C1)c1n(C2)c(=O)ccc1)CC(C)C)Cl
InChI=1SC26H33ClN4O5c115(2)820(25(33)28191018(27)22(353)1123(19)364)2926(34)301216917(1430)2165724(32)31(21)1316h571011151720H891214H214H3(H2833)(H2934)t1617+20m0s1
ZINC000002130815
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