Vitas-M small molecule compound

(1S,5S)-8-oxo-N-[2-(propan-2-ylcarbamoyl)phenyl]-1,5,6,8-tetrahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocine-3(4H)-carboxamide

Catalog ID
STL544094
SMILES CC(NC(=O)c1ccccc1NC(=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 C22H26N4O3 MW 394.47 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H26N4O3/c1-14(2)23-21(28)17-6-3-4-7-18(17)24-22(29)25-11-15-10-16(13-25)19-8-5-9-20(27)26(19)12-15/h3-9,14-16H,10-13H2,1-2H3,(H,23,28)(H,24,29)/t15-,16+/m0/s1
InChIKey
DDJJFPBSYIYHQG-JKSUJKDBSA-N
Synonyms

(1R5R)N(2(isopropylcarbamoyl)phenyl)8oxo4568tetrahydro1H15methanopyrido(12a)(15)diazocine3(2H)carboxamide
(1S5S)8oxoN(2(propan2ylcarbamoyl)phenyl)1568tetrahydro2H15methanopyrido(12a)(15)diazocine3(4H)carboxamide
CC(NC(=O)c1ccccc1NC(=O)N1C(C@H)2C(C@@H)(C1)c1n(C2)c(=O)ccc1)C
InChI=1SC22H26N4O3c114(2)2321(28)17634718(17)2422(29)2511151016(1325)1985920(27)26(19)1215h391416H1013H212H3(H2328)(H2429)t1516+m0s1
ZINC000225410954

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Available files

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