Vitas-M small molecule compound
(1S,5S)-8-oxo-N-[4-(propan-2-yl)phenyl]-1,5,6,8-tetrahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocine-3(4H)-carboxamide
Catalog ID
STL546592
SMILES CC(c1ccc(cc1)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 C21H25N3O2 MW 351.45 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H25N3O2/c1-14(2)16-6-8-18(9-7-16)22-21(26)23-11-15-10-17(13-23)19-4-3-5-20(25)24(19)12-15/h3-9,14-15,17H,10-13H2,1-2H3,(H,22,26)/t15-,17+/m0/s1InChIKey
IIJCXRQMGKKPRD-DOTOQJQBSA-NSynonyms
(1R5R)N(4isopropylphenyl)8oxo4568tetrahydro1H15methanopyrido(12a)(15)diazocine3(2H)carboxamide
(1S5S)8oxoN(4(propan2yl)phenyl)1568tetrahydro2H15methanopyrido(12a)(15)diazocine3(4H)carboxamide
CC(c1ccc(cc1)NC(=O)N1C(C@H)2C(C@@H)(C1)c1n(C2)c(=O)ccc1)C
InChI=1SC21H25N3O2c114(2)166818(9716)2221(26)2311151017(1323)1943520(25)24(19)1215h39141517H1013H212H3(H2226)t1517+m0s1
MFCD05674891
ZINC000002120442
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