Vitas-M small molecule compound
5-nitro-2-[(1R,5R)-8-oxo-1,5,6,8-tetrahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocin-3(4H)-yl]benzaldehyde
Catalog ID
STL530126
SMILES O=Cc1cc(ccc1N1C[C@H]2C[C@@H](C1)c1n(C2)c(=O)ccc1)[N+](=O)[O-]
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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 C18H17N3O4 MW 339.35 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H17N3O4/c22-11-14-7-15(21(24)25)4-5-16(14)19-8-12-6-13(10-19)17-2-1-3-18(23)20(17)9-12/h1-5,7,11-13H,6,8-10H2/t12-,13+/m0/s1InChIKey
YOBXLVCZRDTZTB-QWHCGFSZSA-NSynonyms
5nitro2((1R5R)8oxo1568tetrahydro2H15methanopyrido(12a)(15)diazocin3(4H)yl)benzaldehyde
5nitro2((1R5S)8oxo56dihydro1H15methanopyrido(12a)(15)diazocin3(2H4H8H)yl)benzaldehyde
InChI=1SC18H17N3O4c221114715(21(24)25)4516(14)19812613(1019)1721318(23)20(17)912h1571113H6810H2t1213+m0s1
MFCD06494934
O=Cc1cc(ccc1N1C(C@H)2C(C@H)(C1)c1n(C2)c(=O)ccc1)(N+)(=O)(O)
ZINC000100770360
Check stock
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Check stock on Vitas-MAvailable files
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