Vitas-M small molecule compound

2,4-bis{4-methoxy-3-[(4-nitro-1H-pyrazol-1-yl)methyl]phenyl}-3-azabicyclo[3.3.1]nonan-9-one

Catalog ID
STL405547
SMILES COc1ccc(cc1Cn1ncc(c1)[N+](=O)[O-])C1NC(c2ccc(c(c2)Cn2ncc(c2)[N+](=O)[O-])OC)C2C(=O)C1CCC2

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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 C30H31N7O7 MW 601.62 g/mol Purity >90% as per NMR
InChI
InChI=1S/C30H31N7O7/c1-43-26-8-6-18(10-20(26)14-34-16-22(12-31-34)36(39)40)28-24-4-3-5-25(30(24)38)29(33-28)19-7-9-27(44-2)21(11-19)15-35-17-23(13-32-35)37(41)42/h6-13,16-17,24-25,28-29,33H,3-5,14-15H2,1-2H3
InChIKey
LRBUOYLSQVFZDL-UHFFFAOYSA-N
Synonyms
1052631-68-1
1052631681
24bis(4methoxy3((4nitro1Hpyrazol1yl)methyl)phenyl)3azabicyclo(331)nonan9one
24bis(4methoxy3((4nitropyrazol1yl)methyl)phenyl)3azabicyclo(331)nonan9one
COC1=C(C=C(C=C1)C2C3CCCC(C3=O)C(N2)C4=CC(=C(C=C4)OC)CN5C=C(C=N5)(N+)(=O)(O))CN6C=C(C=N6)(N+)(=O)(O)
COc1ccc(cc1Cn1ncc(c1)(N+)(=O)(O))C1NC(c2ccc(c(c2)Cn2ncc(c2)(N+)(=O)(O))OC)C2C(=O)C1CCC2
InChI=1SC30H31N7O7c143268618(1020(26)14341622(123134)36(39)40)282443525(30(24)38)29(3328)197927(442)21(1119)15351723(133235)37(41)42h61316172425282933H351415H212H3
MFCD09468143
ZINC000101570284
ZINC000224943305

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Available files

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