Vitas-M small molecule compound
2-{(E)-[2-({[4-ethyl-5-(4-methoxyphenyl)-4H-1,2,4-triazol-2-ium-3-yl]sulfanyl}acetyl)hydrazinylidene]methyl}-4,6-diiodophenolate
Catalog ID
STL150217
SMILES COc1ccc(cc1)c1n[nH+]c(n1CC)SCC(=O)N/N=C/c1cc(I)cc(c1[O-])I
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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 C20H19I2N5O3S MW 663.28 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H19I2N5O3S/c1-3-27-19(12-4-6-15(30-2)7-5-12)25-26-20(27)31-11-17(28)24-23-10-13-8-14(21)9-16(22)18(13)29/h4-10,29H,3,11H2,1-2H3,(H,24,28)/b23-10+InChIKey
KEHAUNGCXXEQQS-AUEPDCJTSA-NSynonyms
303105-84-22((E)(2(((4ethyl5(4methoxyphenyl)4H124triazol2ium3yl)sulfanyl)acetyl)hydrazinylidene)methyl)46diiodophenolate
303105842
COc1ccc(cc1)c1n(nH+)c(n1CC)SCC(=O)NN=Cc1cc(I)cc(c1(O))I
MFCD02675598
ZINC000150392119
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