Vitas-M small molecule compound
2-chloro-5-[(4E)-4-{[1-(2,4-dichlorobenzyl)-3-phenyl-1H-pyrazol-4-yl]methylidene}-3-methyl-5-oxo-4,5-dihydro-1H-pyrazol-1-yl]benzoic acid
Catalog ID
STK675327
SMILES Clc1ccc(c(c1)Cl)Cn1nc(c(c1)/C=C/1\C(=NN(C1=O)c1ccc(c(c1)C(=O)O)Cl)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 C28H19Cl3N4O3 MW 565.84 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H19Cl3N4O3/c1-16-22(27(36)35(32-16)21-9-10-24(30)23(13-21)28(37)38)11-19-15-34(14-18-7-8-20(29)12-25(18)31)33-26(19)17-5-3-2-4-6-17/h2-13,15H,14H2,1H3,(H,37,38)/b22-11+InChIKey
ZGPUBBVIXNMZPO-SSDVNMTOSA-NSynonyms
2CHLORO5((4E)4((1((24DICHLOROPHENYL)METHYL)3PHENYLPYRAZOL4YL)METHYLIDENE)3METHYL5OXOPYRAZOL1YL)BENZOICACID
2chloro5((4E)4((1(24dichlorobenzyl)3phenyl1Hpyrazol4yl)methylidene)3methyl5oxo45dihydro1Hpyrazol1yl)benzoicacid
5(4((1((24DICHLOROPHENYL)METHYL)3PHENYLPYRAZOL4YL)METHYLENE)3METHYL5OXO(12DIAZOLINYL))2CHLOROBENZOICACID
CC1=NN(C(=O)C1=CC2=CN(N=C2C3=CC=CC=C3)CC4=C(C=C(C=C4)Cl)Cl)C5=CC(=C(C=C5)Cl)C(=O)O
Clc1ccc(c(c1)Cl)Cn1nc(c(c1)C=C1C(=NN(C1=O)c1ccc(c(c1)C(=O)O)Cl)C)c1ccccc1
InChI=1SC28H19Cl3N4O3c11622(27(36)35(3216)2191024(30)23(1321)28(37)38)11191534(14187820(29)1225(18)31)3326(19)175324617h21315H14H21H3(H3738)b2211+
MFCD01359849
ZINC000100077644
ZINC100077644
Check stock
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Check stock on Vitas-MAvailable files
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