Vitas-M small molecule compound
4-amino-3,5,6-trichloro-N'-[(E)-(4-methoxy-3-{[(1S,5S)-8-oxo-1,5,6,8-tetrahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocin-3(4H)-yl]methyl}phenyl)methylidene]pyridine-2-carbohydrazide
Catalog ID
STL055034
SMILES COc1ccc(cc1CN1C[C@H]2C[C@@H](C1)c1n(C2)c(=O)ccc1)/C=N/NC(=O)c1nc(Cl)c(c(c1Cl)N)Cl
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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 C26H25Cl3N6O3 MW 575.88 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H25Cl3N6O3/c1-38-19-6-5-14(9-31-33-26(37)24-21(27)23(30)22(28)25(29)32-24)7-17(19)13-34-10-15-8-16(12-34)18-3-2-4-20(36)35(18)11-15/h2-7,9,15-16H,8,10-13H2,1H3,(H2,30,32)(H,33,37)/b31-9+/t15-,16+/m0/s1InChIKey
QQDIOQRQLYWNSL-MUASNFCVSA-NSynonyms
(E)4amino356trichloroN(4methoxy3(((1R5S)8oxo56dihydro1H15methanopyrido(12a)(15)diazocin3(2H4H8H)yl)methyl)benzylidene)picolinohydrazide
4amino356trichloroN((E)(4methoxy3(((1S5S)8oxo1568tetrahydro2H15methanopyrido(12a)(15)diazocin3(4H)yl)methyl)phenyl)methylidene)pyridine2carbohydrazide
COc1ccc(cc1CN1C(C@@H)2C(C@@H)(C1)c1n(C2)c(=O)ccc1)C=NNC(=O)c1nc(Cl)c(c(c1Cl)N)Cl
COc1ccc(cc1CN1C(C@H)2C(C@@H)(C1)c1n(C2)c(=O)ccc1)C=NNC(=O)c1nc(Cl)c(c(c1Cl)N)Cl
MFCD32649603
ZINC000102892967
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