Vitas-M small molecule compound
2-{(E)-[2-({[4,5-bis(4-methylphenyl)-4H-1,2,4-triazol-2-ium-3-yl]sulfanyl}acetyl)hydrazinylidene]methyl}-4,6-dibromophenolate
Catalog ID
STK565078
SMILES O=C(CSc1[nH+]nc(n1c1ccc(cc1)C)c1ccc(cc1)C)N/N=C/c1cc(Br)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 C25H21Br2N5O2S MW 615.35 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H21Br2N5O2S/c1-15-3-7-17(8-4-15)24-30-31-25(32(24)20-9-5-16(2)6-10-20)35-14-22(33)29-28-13-18-11-19(26)12-21(27)23(18)34/h3-13,34H,14H2,1-2H3,(H,29,33)/b28-13+InChIKey
XDRREPACIFOWCK-XODNFHPESA-NSynonyms
2((E)(2(((45bis(4methylphenyl)4H124triazol2ium3yl)sulfanyl)acetyl)hydrazinylidene)methyl)46dibromophenolate
MFCD03091546
O=C(CSc1(nH+)nc(n1c1ccc(cc1)C)c1ccc(cc1)C)NN=Cc1cc(Br)cc(c1(O))Br
ZINC000100858312
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