Vitas-M small molecule compound

3-{(1E)-1-[2-({[4-(4-bromophenyl)-5-phenyl-4H-1,2,4-triazol-2-ium-3-yl]sulfanyl}acetyl)hydrazinylidene]ethyl}phenolate

Catalog ID
STK566808
SMILES O=C(CSc1[nH+]nc(n1c1ccc(cc1)Br)c1ccccc1)N/N=C(/c1cccc(c1)[O-])\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 C24H20BrN5O2S MW 522.43 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H20BrN5O2S/c1-16(18-8-5-9-21(31)14-18)26-27-22(32)15-33-24-29-28-23(17-6-3-2-4-7-17)30(24)20-12-10-19(25)11-13-20/h2-14,31H,15H2,1H3,(H,27,32)/b26-16+
InChIKey
QAUCBQGLUXPVKP-WGOQTCKBSA-N
Synonyms
488136-73-8
2((4(4bromophenyl)5phenyl124triazol3yl)sulfanyl)N((E)1(3hydroxyphenyl)ethylideneamino)acetamide
3((1E)1(2(((4(4bromophenyl)5phenyl4H124triazol2ium3yl)sulfanyl)acetyl)hydrazinylidene)ethyl)phenolate
488136738
InChI=1SC24H20BrN5O2Sc116(1885921(31)1418)262722(32)153324292823(176324717)30(24)20121019(25)111320h21431H15H21H3(H2732)b2616+
MFCD03290291
O=C(CSc1(nH+)nc(n1c1ccc(cc1)Br)c1ccccc1)NN=C(c1cccc(c1)(O))C
ZINC000100840579
ZINC6156906

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Available files

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