Vitas-M small molecule compound
methyl 1-({[4-({(E)-[3-(4-chlorophenyl)-1H-pyrazol-4-yl]methylidene}amino)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)-1H-pyrazole-3-carboxylate
Catalog ID
STL392305
SMILES COC(=O)c1ccn(n1)CSc1nncn1/N=C/c1c[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 C18H15ClN8O2S MW 442.89 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H15ClN8O2S/c1-29-17(28)15-6-7-26(25-15)11-30-18-24-21-10-27(18)22-9-13-8-20-23-16(13)12-2-4-14(19)5-3-12/h2-10H,11H2,1H3,(H,20,23)/b22-9+InChIKey
LYVVNDVKHNXCAI-LSFURLLWSA-NSynonyms
1005588-01-11005588011
COC(=O)c1ccn(n1)CSc1nncn1N=Cc1c(nH)nc1c1ccc(cc1)Cl
methyl1(((4(((E)(3(4chlorophenyl)1Hpyrazol4yl)methylidene)amino)4H124triazol3yl)sulfanyl)methyl)1Hpyrazole3carboxylate
MFCD05667559
ZINC000002733204
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