Vitas-M small molecule compound

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

Catalog ID
STK107993
SMILES Cc1ccc(cc1)COc1ccc(cc1)c1n[nH]c(c1)C(=O)N/N=C(\c1cccc(c1)[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 C26H23N5O4 MW 469.50 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H23N5O4/c1-17-6-8-19(9-7-17)16-35-23-12-10-20(11-13-23)24-15-25(29-28-24)26(32)30-27-18(2)21-4-3-5-22(14-21)31(33)34/h3-15H,16H2,1-2H3,(H,28,29)(H,30,32)/b27-18-
InChIKey
KFQHSFNGYNNAOH-IMRQLAEWSA-N
Synonyms

(E)3(4((4methylbenzyl)oxy)phenyl)N(1(3nitrophenyl)ethylidene)1Hpyrazole5carbohydrazide
3(4((4METHYLBENZYL)OXY)PHENYL)N((1Z)1(3NITROPHENYL)ETHYLIDENE)1HPYRAZOLE5CARBOHYDRAZIDE
3(4((4METHYLPHENYL)METHOXY)PHENYL)N((Z)1(3NITROPHENYL)ETHYLIDENEAMINO)1HPYRAZOLE5CARBOXAMIDE
CC1=CC=C(C=C1)COC2=CC=C(C=C2)C3=NNC(=C3)C(=O)NN=C(C)C4=CC(=CC=C4)(N+)(=O)(O)
Cc1ccc(cc1)COc1ccc(cc1)c1n(nH)c(c1)C(=O)NN=C(c1cccc(c1)(N+)(=O)(O))C
InChI=1SC26H23N5O4c1176819(9717)163523121020(111323)241525(292824)26(32)302718(2)2143522(1421)31(33)34h315H16H212H3(H2829)(H3032)b2718
MFCD04126840
ZINC000012466449
ZINC01468851
ZINC1468851

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Available files

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