Vitas-M small molecule compound
2-{(E)-[2-({[5-(4-chlorophenyl)-4-(4-ethoxyphenyl)-4H-1,2,4-triazol-2-ium-3-yl]sulfanyl}acetyl)hydrazinylidene]methyl}-4,6-diiodophenolate
Catalog ID
STK563594
SMILES CCOc1ccc(cc1)n1c(SCC(=O)N/N=C/c2cc(I)cc(c2[O-])I)[nH+]nc1c1ccc(cc1)Cl
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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 C25H20ClI2N5O3S MW 759.79 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H20ClI2N5O3S/c1-2-36-20-9-7-19(8-10-20)33-24(15-3-5-17(26)6-4-15)31-32-25(33)37-14-22(34)30-29-13-16-11-18(27)12-21(28)23(16)35/h3-13,35H,2,14H2,1H3,(H,30,34)/b29-13+InChIKey
LEZDKLQLURUFDW-VFLNYLIXSA-NSynonyms
2((E)(2(((5(4chlorophenyl)4(4ethoxyphenyl)4H124triazol2ium3yl)sulfanyl)acetyl)hydrazinylidene)methyl)46diiodophenolate
CCOc1ccc(cc1)n1c(SCC(=O)NN=Cc2cc(I)cc(c2(O))I)(nH+)nc1c1ccc(cc1)Cl
MFCD03220248
ZINC000150406134
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