Vitas-M small molecule compound
2-bromo-4-{(E)-[2-({[5-(4-tert-butylphenyl)-4-(4-methylphenyl)-4H-1,2,4-triazol-2-ium-3-yl]sulfanyl}acetyl)hydrazinylidene]methyl}-6-methoxyphenolate
Catalog ID
STL046843
SMILES COc1cc(/C=N/NC(=O)CSc2[nH+]nc(n2c2ccc(cc2)C)c2ccc(cc2)C(C)(C)C)cc(c1[O-])Br
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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 C29H30BrN5O3S MW 608.56 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H30BrN5O3S/c1-18-6-12-22(13-7-18)35-27(20-8-10-21(11-9-20)29(2,3)4)33-34-28(35)39-17-25(36)32-31-16-19-14-23(30)26(37)24(15-19)38-5/h6-16,37H,17H2,1-5H3,(H,32,36)/b31-16+InChIKey
HGEUWZGSWXRCTM-WCMJOSRZSA-NSynonyms
2bromo4((E)(2(((5(4tertbutylphenyl)4(4methylphenyl)4H124triazol2ium3yl)sulfanyl)acetyl)hydrazinylidene)methyl)6methoxyphenolate
COc1cc(C=NNC(=O)CSc2(nH+)nc(n2c2ccc(cc2)C)c2ccc(cc2)C(C)(C)C)cc(c1(O))Br
MFCD03219899
ZINC000100852204
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