Vitas-M small molecule compound
3-methoxy-N-(4-{[(1S,5S)-8-oxo-1,5,6,8-tetrahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocin-3(4H)-yl]sulfonyl}phenyl)benzamide
Catalog ID
STL527915
SMILES COc1cccc(c1)C(=O)Nc1ccc(cc1)S(=O)(=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 C25H25N3O5S MW 479.56 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H25N3O5S/c1-33-21-5-2-4-18(13-21)25(30)26-20-8-10-22(11-9-20)34(31,32)27-14-17-12-19(16-27)23-6-3-7-24(29)28(23)15-17/h2-11,13,17,19H,12,14-16H2,1H3,(H,26,30)/t17-,19+/m0/s1InChIKey
XXPHUUGKFXRLDK-PKOBYXMFSA-NSynonyms
3methoxyN(4(((1R5R)8oxo56dihydro1H15methanopyrido(12a)(15)diazocin3(2H4H8H)yl)sulfonyl)phenyl)benzamide
3methoxyN(4(((1S5S)8oxo1568tetrahydro2H15methanopyrido(12a)(15)diazocin3(4H)yl)sulfonyl)phenyl)benzamide
COc1cccc(c1)C(=O)Nc1ccc(cc1)S(=O)(=O)N1C(C@H)2C(C@@H)(C1)c1n(C2)c(=O)ccc1
InChI=1SC25H25N3O5Sc1332152418(1321)25(30)262081022(11920)34(3132)2714171219(1627)2363724(29)28(23)1517h211131719H121416H21H3(H2630)t1719+m0s1
MFCD03661766
ZINC000002091165
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