Vitas-M small molecule compound
2-{(E)-[2-({[5-(4-chlorophenyl)-4-ethyl-4H-1,2,4-triazol-2-ium-3-yl]sulfanyl}acetyl)hydrazinylidene]methyl}benzoate
Catalog ID
STL040404
SMILES CCn1c(SCC(=O)N/N=C/c2ccccc2C(=O)[O-])[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 C20H18ClN5O3S MW 443.91 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H18ClN5O3S/c1-2-26-18(13-7-9-15(21)10-8-13)24-25-20(26)30-12-17(27)23-22-11-14-5-3-4-6-16(14)19(28)29/h3-11H,2,12H2,1H3,(H,23,27)(H,28,29)/b22-11+InChIKey
NSAVYVHJKQKVRT-SSDVNMTOSA-NSynonyms
489422-36-82((E)(2(((5(4chlorophenyl)4ethyl4H124triazol2ium3yl)sulfanyl)acetyl)hydrazinylidene)methyl)benzoate
489422368
CCn1c(SCC(=O)NN=Cc2ccccc2C(=O)(O))(nH+)nc1c1ccc(cc1)Cl
MFCD03218750
ZINC000012467986
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