Vitas-M small molecule compound
5-[(4Z)-4-{4-[bis(2-chloroethyl)amino]benzylidene}-3-methyl-5-oxo-4,5-dihydro-1H-pyrazol-1-yl]-2-chlorobenzoic acid
Catalog ID
STK728427
SMILES ClCCN(c1ccc(cc1)/C=C\1/C(=NN(C1=O)c1ccc(c(c1)C(=O)O)Cl)C)CCCl
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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 C22H20Cl3N3O3 MW 480.78 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H20Cl3N3O3/c1-14-18(12-15-2-4-16(5-3-15)27(10-8-23)11-9-24)21(29)28(26-14)17-6-7-20(25)19(13-17)22(30)31/h2-7,12-13H,8-11H2,1H3,(H,30,31)/b18-12-InChIKey
XUUKBNSAUFVPMU-PDGQHHTCSA-NSynonyms
(E)5(4(4(bis(2chloroethyl)amino)benzylidene)3methyl5oxo45dihydro1Hpyrazol1yl)2chlorobenzoicacid
5((4Z)4((4(BIS(2CHLOROETHYL)AMINO)PHENYL)METHYLIDENE)3METHYL5OXOPYRAZOL1YL)2CHLOROBENZOICACID
5((4Z)4((4(BIS(2CHLOROETHYL)AZANIUMYL)PHENYL)METHYLIDENE)3METHYL5OXOPYRAZOL1YL)2CHLOROBENZOATE
5((4Z)4(4(bis(2chloroethyl)amino)benzylidene)3methyl5oxo45dihydro1Hpyrazol1yl)2chlorobenzoicacid
CC1=NN(C(=O)C1=CC2=CC=C(C=C2)(NH+)(CCCl)CCCl)C3=CC(=C(C=C3)Cl)C(=O)(O)
ClCCN(c1ccc(cc1)C=C1C(=NN(C1=O)c1ccc(c(c1)C(=O)O)Cl)C)CCCl
InChI=1SC22H20Cl3N3O3c11418(12152416(5315)27(10823)11924)21(29)28(2614)176720(25)19(1317)22(30)31h271213H811H21H3(H3031)b1812
MFCD01158517
ZINC000097968539
ZINC97968539
Check stock
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