Vitas-M small molecule compound

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

Catalog ID
STK104302
SMILES COc1cc(ccc1OCc1ccc(cc1)C)c1n[nH]c(c1)C(=O)N/N=C/c1ccc(cc1)[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/c1-17-3-5-19(6-4-17)16-36-24-12-9-20(13-25(24)35-2)22-14-23(29-28-22)26(32)30-27-15-18-7-10-21(11-8-18)31(33)34/h3-15H,16H2,1-2H3,(H,28,29)(H,30,32)/b27-15+
InChIKey
LWXOQNNQESBDDL-JFLMPSFJSA-N
Synonyms
1285532-32-2
(E)3(3methoxy4((4methylbenzyl)oxy)phenyl)N(4nitrobenzylidene)1Hpyrazole5carbohydrazide
1285532322
3(3METHOXY4((4METHYLBENZYL)OXY)PHENYL)N((E)(4NITROPHENYL)METHYLIDENE)1HPYRAZOLE5CARBOHYDRAZIDE
3(3METHOXY4((4METHYLPHENYL)METHOXY)PHENYL)N((E)(4NITROPHENYL)METHYLIDENEAMINO)1HPYRAZOLE5CARBOXAMIDE
CC1=CC=C(C=C1)COC2=C(C=C(C=C2)C3=NNC(=C3)C(=O)NN=CC4=CC=C(C=C4)(N+)(=O)(O))OC
COc1cc(ccc1OCc1ccc(cc1)C)c1n(nH)c(c1)C(=O)NN=Cc1ccc(cc1)(N+)(=O)(O)
InChI=1SC26H23N5O5c1173519(6417)16362412920(1325(24)352)221423(292822)26(32)3027151871021(11818)31(33)34h315H16H212H3(H2829)(H3032)b2715+
MFCD03662990
N((1E)2(4NITROPHENYL)1AZAVINYL)(3(3METHOXY4((4METHYLPHENYL)METHOXY)PHENYL)PYRAZOL5YL)CARBOXAMIDE
ZINC000001469415
ZINC33340682

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Available files

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