Vitas-M small molecule compound

3-{3-methoxy-4-[(4-methylbenzyl)oxy]phenyl}-N'-[(E)-(3-nitrophenyl)methylidene]-1H-pyrazole-5-carbohydrazide

Catalog ID
STK106580
SMILES COc1cc(ccc1OCc1ccc(cc1)C)c1n[nH]c(c1)C(=O)N/N=C/c1cccc(c1)[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 C26H23N5O5 MW 485.50 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H23N5O5/c1-17-6-8-18(9-7-17)16-36-24-11-10-20(13-25(24)35-2)22-14-23(29-28-22)26(32)30-27-15-19-4-3-5-21(12-19)31(33)34/h3-15H,16H2,1-2H3,(H,28,29)(H,30,32)/b27-15+
InChIKey
CLWUHMYHJPGBED-JFLMPSFJSA-N
Synonyms
1285639-15-7
(E)3(3methoxy4((4methylbenzyl)oxy)phenyl)N(3nitrobenzylidene)1Hpyrazole5carbohydrazide
1285639157
3(3METHOXY4((4METHYLBENZYL)OXY)PHENYL)N((E)(3NITROPHENYL)METHYLIDENE)1HPYRAZOLE5CARBOHYDRAZIDE
3(3METHOXY4((4METHYLPHENYL)METHOXY)PHENYL)N((E)(3NITROPHENYL)METHYLIDENEAMINO)1HPYRAZOLE5CARBOXAMIDE
CC1=CC=C(C=C1)COC2=C(C=C(C=C2)C3=NNC(=C3)C(=O)NN=CC4=CC(=CC=C4)(N+)(=O)(O))OC
COc1cc(ccc1OCc1ccc(cc1)C)c1n(nH)c(c1)C(=O)NN=Cc1cccc(c1)(N+)(=O)(O)
InChI=1SC26H23N5O5c1176818(9717)163624111020(1325(24)352)221423(292822)26(32)3027151943521(1219)31(33)34h315H16H212H3(H2829)(H3032)b2715+
MFCD03663483
N((1E)2(3NITROPHENYL)1AZAVINYL)(3(3METHOXY4((4METHYLPHENYL)METHOXY)PHENYL)PYRAZOL5YL)CARBOXAMIDE
ZINC000001469409
ZINC33340681

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Available files

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