Vitas-M small molecule compound
4-{(E)-[2-({[5-(4-bromophenyl)-4-phenyl-4H-1,2,4-triazol-2-ium-3-yl]sulfanyl}acetyl)hydrazinylidene]methyl}-2,6-di-tert-butylphenolate
Catalog ID
STL150746
SMILES O=C(CSc1[nH+]nc(n1c1ccccc1)c1ccc(cc1)Br)N/N=C/c1cc(c(c(c1)C(C)(C)C)[O-])C(C)(C)C
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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 C31H34BrN5O2S MW 620.61 g/mol Purity >90% as per NMR
InChI
InChI=1S/C31H34BrN5O2S/c1-30(2,3)24-16-20(17-25(27(24)39)31(4,5)6)18-33-34-26(38)19-40-29-36-35-28(21-12-14-22(32)15-13-21)37(29)23-10-8-7-9-11-23/h7-18,39H,19H2,1-6H3,(H,34,38)/b33-18+InChIKey
KZZMGBRKEULXFB-DPNNOFEESA-NSynonyms
4((E)(2(((5(4bromophenyl)4phenyl4H124triazol2ium3yl)sulfanyl)acetyl)hydrazinylidene)methyl)26ditertbutylphenolate
MFCD02074941
O=C(CSc1(nH+)nc(n1c1ccccc1)c1ccc(cc1)Br)NN=Cc1cc(c(c(c1)C(C)(C)C)(O))C(C)(C)C
ZINC000100613471
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