Vitas-M small molecule compound
4-[(E)-(2-{[(4-ethyl-5-phenyl-4H-1,2,4-triazol-2-ium-3-yl)sulfanyl]acetyl}hydrazinylidene)methyl]-2-methoxyphenolate
Catalog ID
STK558901
SMILES COc1cc(/C=N/NC(=O)CSc2[nH+]nc(n2CC)c2ccccc2)ccc1[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 C20H21N5O3S MW 411.48 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H21N5O3S/c1-3-25-19(15-7-5-4-6-8-15)23-24-20(25)29-13-18(27)22-21-12-14-9-10-16(26)17(11-14)28-2/h4-12,26H,3,13H2,1-2H3,(H,22,27)/b21-12+InChIKey
RINWWOPEDODKOS-CIAFOILYSA-NSynonyms
304450-58-6304450586
4((E)(2(((4ethyl5phenyl4H124triazol2ium3yl)sulfanyl)acetyl)hydrazinylidene)methyl)2methoxyphenolate
COc1cc(C=NNC(=O)CSc2(nH+)nc(n2CC)c2ccccc2)ccc1(O)
MFCD02641999
ZINC000002352793
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