Vitas-M small molecule compound
2-[(E)-(2-{[4-(2-chlorobenzyl)piperazin-1-ium-1-yl]acetyl}hydrazinylidene)methyl]-4,6-diiodophenolate
Catalog ID
STL044753
SMILES Ic1cc(/C=N/NC(=O)C[NH+]2CCN(CC2)Cc2ccccc2Cl)c(c(c1)I)[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 C20H21ClI2N4O2 MW 638.67 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H21ClI2N4O2/c21-17-4-2-1-3-14(17)12-26-5-7-27(8-6-26)13-19(28)25-24-11-15-9-16(22)10-18(23)20(15)29/h1-4,9-11,29H,5-8,12-13H2,(H,25,28)/b24-11+InChIKey
LWBISAHWYSARQC-BHGWPJFGSA-NSynonyms
2((E)((2(4((2chlorophenyl)methyl)piperazin1ium1yl)acetyl)hydrazinylidene)methyl)46diiodophenolate
2((E)(2((4(2chlorobenzyl)piperazin1ium1yl)acetyl)hydrazinylidene)methyl)46diiodophenolate
C1CN(CC(NH+)1CC(=O)NN=CC2=CC(=CC(=C2(O))I)I)CC3=CC=CC=C3Cl
Ic1cc(C=NNC(=O)C(NH+)2CCN(CC2)Cc2ccccc2Cl)c(c(c1)I)(O)
InChI=1SC20H21ClI2N4O2c2117421314(17)12265727(8626)1319(28)25241115916(22)1018(23)20(15)29h1491129H581213H2(H2528)b2411+
MFCD02075469
ZINC000150408792
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