Vitas-M small molecule compound

2-{(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
STK561236
SMILES COc1cccc(c1[O-])/C=N/NC(=O)CSc1[nH+]nc(n1c1ccc(cc1)C)c1ccc(cc1)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 C29H31N5O3S MW 529.66 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H31N5O3S/c1-19-9-15-23(16-10-19)34-27(20-11-13-22(14-12-20)29(2,3)4)32-33-28(34)38-18-25(35)31-30-17-21-7-6-8-24(37-5)26(21)36/h6-17,36H,18H2,1-5H3,(H,31,35)/b30-17+
InChIKey
MRXMZJNQLCOZNX-OCSSWDANSA-N
Synonyms
488121-52-4
2((E)(2(((5(4tertbutylphenyl)4(4methylphenyl)4H124triazol2ium3yl)sulfanyl)acetyl)hydrazinylidene)methyl)6methoxyphenolate
488121524
COc1cccc(c1(O))C=NNC(=O)CSc1(nH+)nc(n1c1ccc(cc1)C)c1ccc(cc1)C(C)(C)C
MFCD03289437
ZINC000002330410

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Available files

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