Vitas-M small molecule compound
1-{(E)-[2-({[5-(4-chlorophenyl)-4-cyclohexyl-4H-1,2,4-triazol-2-ium-3-yl]sulfanyl}acetyl)hydrazinylidene]methyl}naphthalen-2-olate
Catalog ID
STK559428
SMILES O=C(CSc1[nH+]nc(n1C1CCCCC1)c1ccc(cc1)Cl)N/N=C/c1c([O-])ccc2c1cccc2
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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 C27H26ClN5O2S MW 520.05 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H26ClN5O2S/c28-20-13-10-19(11-14-20)26-31-32-27(33(26)21-7-2-1-3-8-21)36-17-25(35)30-29-16-23-22-9-5-4-6-18(22)12-15-24(23)34/h4-6,9-16,21,34H,1-3,7-8,17H2,(H,30,35)/b29-16+InChIKey
SHLPPAIGRDSLCC-MUFRIFMGSA-NSynonyms
488087-40-71((E)(2(((5(4chlorophenyl)4cyclohexyl4H124triazol2ium3yl)sulfanyl)acetyl)hydrazinylidene)methyl)naphthalen2olate
MFCD03221024
O=C(CSc1(nH+)nc(n1C1CCCCC1)c1ccc(cc1)Cl)NN=Cc1c((O))ccc2c1cccc2
ZINC000002324976
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