Vitas-M small molecule compound
(1S)-N-[(2E)-2-cyano-3-phenylprop-2-enoyl]-8-oxo-1,5,6,8-tetrahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocine-3(4H)-carboxamide
Catalog ID
STL524886
SMILES N#C/C(=C\c1ccccc1)/C(=O)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 C22H20N4O3 MW 388.43 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H20N4O3/c23-11-17(9-15-5-2-1-3-6-15)21(28)24-22(29)25-12-16-10-18(14-25)19-7-4-8-20(27)26(19)13-16/h1-9,16,18H,10,12-14H2,(H,24,28,29)/b17-9+/t16-,18-/m0/s1InChIKey
DPLQXMYYGOBWBN-YIULSMNQSA-NSynonyms
(1R5R)N((E)2cyano3phenylacryloyl)8oxo4568tetrahydro1H15methanopyrido(12a)(15)diazocine3(2H)carboxamide
(1S)N((2E)2cyano3phenylprop2enoyl)8oxo1568tetrahydro2H15methanopyrido(12a)(15)diazocine3(4H)carboxamide
InChI=1SC22H20N4O3c231117(9155213615)21(28)2422(29)2512161018(1425)1974820(27)26(19)1316h191618H101214H2(H242829)b179+t1618m0s1
MFCD06763626
N#CC(=Cc1ccccc1)C(=O)NC(=O)N1C(C@@H)2C(C@H)(C1)c1n(C2)c(=O)ccc1
ZINC000104184930
Check stock
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