Vitas-M small molecule compound
2-{(E)-[2-({[5-(3-chlorophenyl)-4-methyl-4H-1,2,4-triazol-2-ium-3-yl]sulfanyl}acetyl)hydrazinylidene]methyl}-6-methoxyphenolate
Catalog ID
STK562785
SMILES COc1cccc(c1[O-])/C=N/NC(=O)CSc1[nH+]nc(n1C)c1cccc(c1)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 C19H18ClN5O3S MW 431.90 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H18ClN5O3S/c1-25-18(12-5-3-7-14(20)9-12)23-24-19(25)29-11-16(26)22-21-10-13-6-4-8-15(28-2)17(13)27/h3-10,27H,11H2,1-2H3,(H,22,26)/b21-10+InChIKey
OHSHCQLKKKMKEO-UFFVCSGVSA-NSynonyms
348103-43-52((E)(2(((5(3chlorophenyl)4methyl4H124triazol2ium3yl)sulfanyl)acetyl)hydrazinylidene)methyl)6methoxyphenolate
348103435
COc1cccc(c1(O))C=NNC(=O)CSc1(nH+)nc(n1C)c1cccc(c1)Cl
MFCD02610662
ZINC000002368868
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