Vitas-M small molecule compound
3-bromo-N'-[(E)-(4-methoxy-3-{[(1S)-8-oxo-1,5,6,8-tetrahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocin-3(4H)-yl]methyl}phenyl)methylidene]benzohydrazide
Catalog ID
STL524419
SMILES COc1ccc(cc1CN1C[C@H]2C[C@@H](C1)c1n(C2)c(=O)ccc1)/C=N/NC(=O)c1cccc(c1)Br
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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 C27H27BrN4O3 MW 535.44 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H27BrN4O3/c1-35-25-9-8-18(13-29-30-27(34)20-4-2-5-23(28)12-20)10-22(25)17-31-14-19-11-21(16-31)24-6-3-7-26(33)32(24)15-19/h2-10,12-13,19,21H,11,14-17H2,1H3,(H,30,34)/b29-13+/t19-,21-/m0/s1InChIKey
GUZNBJVWGXUUJC-JDEDGFRCSA-NSynonyms
(E)3bromoN(4methoxy3(((1R5S)8oxo56dihydro1H15methanopyrido(12a)(15)diazocin3(2H4H8H)yl)methyl)benzylidene)benzohydrazide
3bromoN((E)(4methoxy3(((1S)8oxo1568tetrahydro2H15methanopyrido(12a)(15)diazocin3(4H)yl)methyl)phenyl)methylidene)benzohydrazide
COc1ccc(cc1CN1C(C@@H)2C(C@H)(C1)c1n(C2)c(=O)ccc1)C=NNC(=O)c1cccc(c1)Br
InChI=1SC27H27BrN4O3c135259818(13293027(34)2042523(28)1220)1022(25)173114191121(1631)2463726(33)32(24)1519h21012131921H111417H21H3(H3034)b2913+t1921m0s1
MFCD01544208
ZINC000104763969
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