Vitas-M small molecule compound

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

Catalog ID
STK564237
SMILES CC/C(=N\NC(=O)CSc1[nH+]nc(n1c1ccccc1)c1cc(OC)c(c(c1)OC)OC)/c1ccc(cc1)[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 C28H29N5O5S MW 547.63 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H29N5O5S/c1-5-22(18-11-13-21(34)14-12-18)29-30-25(35)17-39-28-32-31-27(33(28)20-9-7-6-8-10-20)19-15-23(36-2)26(38-4)24(16-19)37-3/h6-16,34H,5,17H2,1-4H3,(H,30,35)/b29-22+
InChIKey
APGFQSWXKKYQNM-QUPMIFSKSA-N
Synonyms
315184-23-7
315184237
4((1E)1(2(((4phenyl5(345trimethoxyphenyl)4H124triazol2ium3yl)sulfanyl)acetyl)hydrazinylidene)propyl)phenolate
CCC(=NNC(=O)CSc1(nH+)nc(n1c1ccccc1)c1cc(OC)c(c(c1)OC)OC)c1ccc(cc1)(O)
MFCD02075171
ZINC000100154911

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Available files

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