Vitas-M small molecule compound
4-{(E)-[2-({[5-(4-tert-butylphenyl)-4-(4-methylphenyl)-4H-1,2,4-triazol-2-ium-3-yl]sulfanyl}acetyl)hydrazinylidene]methyl}-2-ethoxyphenolate
Catalog ID
STK565778
SMILES CCOc1cc(/C=N/NC(=O)CSc2[nH+]nc(n2c2ccc(cc2)C)c2ccc(cc2)C(C)(C)C)ccc1[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 C30H33N5O3S MW 543.69 g/mol Purity >90% as per NMR
InChI
InChI=1S/C30H33N5O3S/c1-6-38-26-17-21(9-16-25(26)36)18-31-32-27(37)19-39-29-34-33-28(35(29)24-14-7-20(2)8-15-24)22-10-12-23(13-11-22)30(3,4)5/h7-18,36H,6,19H2,1-5H3,(H,32,37)/b31-18+InChIKey
CEXXMABQOCJHIP-FDAWAROLSA-NSynonyms
497921-39-84((E)(2(((5(4tertbutylphenyl)4(4methylphenyl)4H124triazol2ium3yl)sulfanyl)acetyl)hydrazinylidene)methyl)2ethoxyphenolate
497921398
CCOc1cc(C=NNC(=O)CSc2(nH+)nc(n2c2ccc(cc2)C)c2ccc(cc2)C(C)(C)C)ccc1(O)
MFCD03301225
ZINC000002347355
Check stock
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