Vitas-M small molecule compound
N-benzyl-2-(2-methoxy-4-{(Z)-[3-methyl-1-(4-nitrophenyl)-5-oxo-1,5-dihydro-4H-pyrazol-4-ylidene]methyl}phenoxy)acetamide
Catalog ID
STL172361
SMILES COc1cc(ccc1OCC(=O)NCc1ccccc1)/C=C\1/C(=NN(C1=O)c1ccc(cc1)[N+](=O)[O-])C
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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 C27H24N4O6 MW 500.51 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H24N4O6/c1-18-23(27(33)30(29-18)21-9-11-22(12-10-21)31(34)35)14-20-8-13-24(25(15-20)36-2)37-17-26(32)28-16-19-6-4-3-5-7-19/h3-15H,16-17H2,1-2H3,(H,28,32)/b23-14-InChIKey
YVXMPIYISKFAQG-UCQKPKSFSA-NSynonyms
834909-68-1834909681
CC1=NN(C(=O)C1=CC2=CC(=C(C=C2)OCC(=O)NCC3=CC=CC=C3)OC)C4=CC=C(C=C4)(N+)(=O)(O)
COc1cc(ccc1OCC(=O)NCc1ccccc1)C=C1C(=NN(C1=O)c1ccc(cc1)(N+)(=O)(O))C
InChI=1SC27H24N4O6c11823(27(33)30(2918)2191122(121021)31(34)35)142081324(25(1520)362)371726(32)2816196435719h315H1617H212H3(H2832)b2314
MFCD02054172
Nbenzyl2(2methoxy4((Z)(3methyl1(4nitrophenyl)5oxo15dihydro4Hpyrazol4ylidene)methyl)phenoxy)acetamide
Nbenzyl2(2methoxy4((Z)(3methyl1(4nitrophenyl)5oxopyrazol4ylidene)methyl)phenoxy)acetamide
ZINC000013915492
ZINC13915492
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