Vitas-M small molecule compound

2-(4-methyl-3-nitrophenyl)-2-oxoethyl 3-(4-methoxyphenyl)-1-phenyl-1H-pyrazole-4-carboxylate

Catalog ID
STK862790
SMILES COc1ccc(cc1)c1nn(cc1C(=O)OCC(=O)c1ccc(c(c1)[N+](=O)[O-])C)c1ccccc1

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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 C26H21N3O6 MW 471.47 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H21N3O6/c1-17-8-9-19(14-23(17)29(32)33)24(30)16-35-26(31)22-15-28(20-6-4-3-5-7-20)27-25(22)18-10-12-21(34-2)13-11-18/h3-15H,16H2,1-2H3
InChIKey
OELQAWFMKSFBJD-UHFFFAOYSA-N
Synonyms
431939-95-6
(2(4METHYL3NITROPHENYL)2OXOETHYL)3(4METHOXYPHENYL)1PHENYLPYRAZOLE4CARBOXYLATE
2(4methyl3nitrophenyl)2oxoethyl3(4methoxyphenyl)1phenyl1Hpyrazole4carboxylate
431939956
CC1=C(C=C(C=C1)C(=O)COC(=O)C2=CN(N=C2C3=CC=C(C=C3)OC)C4=CC=CC=C4)(N+)(=O)(O)
COc1ccc(cc1)c1nn(cc1C(=O)OCC(=O)c1ccc(c(c1)(N+)(=O)(O))C)c1ccccc1
InChI=1SC26H21N3O6c1178919(1423(17)29(32)33)24(30)163526(31)221528(206435720)2725(22)18101221(342)131118h315H16H212H3
MFCD02828860
ZINC000001144367
ZINC01144367
ZINC1144367

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Available files

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