Vitas-M small molecule compound
2-{(E)-[2-({[4-benzyl-5-(pyridin-4-yl)-4H-1,2,4-triazol-2-ium-3-yl]sulfanyl}acetyl)hydrazinylidene]methyl}-4-bromophenolate
Catalog ID
STL148953
SMILES O=C(CSc1[nH+]nc(n1Cc1ccccc1)c1ccncc1)N/N=C/c1cc(Br)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 C23H19BrN6O2S MW 523.41 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H19BrN6O2S/c24-19-6-7-20(31)18(12-19)13-26-27-21(32)15-33-23-29-28-22(17-8-10-25-11-9-17)30(23)14-16-4-2-1-3-5-16/h1-13,31H,14-15H2,(H,27,32)/b26-13+InChIKey
DMAQDBOMDRMTNV-LGJNPRDNSA-NSynonyms
371116-00-62((E)(2(((4benzyl5(pyridin4yl)4H124triazol2ium3yl)sulfanyl)acetyl)hydrazinylidene)methyl)4bromophenolate
371116006
MFCD03007482
O=C(CSc1(nH+)nc(n1Cc1ccccc1)c1ccncc1)NN=Cc1cc(Br)ccc1(O)
ZINC000002313685
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