Vitas-M small molecule compound
2-{(E)-[2-({[5-(3,4-dimethoxyphenyl)-4-phenyl-4H-1,2,4-triazol-2-ium-3-yl]sulfanyl}acetyl)hydrazinylidene]methyl}benzoate
Catalog ID
STL047502
SMILES COc1cc(ccc1OC)c1n[nH+]c(n1c1ccccc1)SCC(=O)N/N=C/c1ccccc1C(=O)[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 C26H23N5O5S MW 517.57 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H23N5O5S/c1-35-21-13-12-17(14-22(21)36-2)24-29-30-26(31(24)19-9-4-3-5-10-19)37-16-23(32)28-27-15-18-8-6-7-11-20(18)25(33)34/h3-15H,16H2,1-2H3,(H,28,32)(H,33,34)/b27-15+InChIKey
USHGLRKSFNWWOM-JFLMPSFJSA-NSynonyms
315217-38-02((E)(2(((5(34dimethoxyphenyl)4phenyl4H124triazol2ium3yl)sulfanyl)acetyl)hydrazinylidene)methyl)benzoate
315217380
COc1cc(ccc1OC)c1n(nH+)c(n1c1ccccc1)SCC(=O)NN=Cc1ccccc1C(=O)(O)
MFCD02076807
ZINC000002215705
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