Vitas-M small molecule compound

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

Catalog ID
STL149397
SMILES CCn1c(SCC(=O)N/N=C/c2ccc(cc2)[O-])[nH+]nc1c1ccc(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 C23H27N5O2S MW 437.57 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H27N5O2S/c1-5-28-21(17-8-10-18(11-9-17)23(2,3)4)26-27-22(28)31-15-20(30)25-24-14-16-6-12-19(29)13-7-16/h6-14,29H,5,15H2,1-4H3,(H,25,30)/b24-14+
InChIKey
WEPRANXLDBKFPN-ZVHZXABRSA-N
Synonyms
488089-64-1
4((E)(2(((5(4tertbutylphenyl)4ethyl4H124triazol2ium3yl)sulfanyl)acetyl)hydrazinylidene)methyl)phenolate
488089641
CCn1c(SCC(=O)NN=Cc2ccc(cc2)(O))(nH+)nc1c1ccc(cc1)C(C)(C)C
MFCD03219133
ZINC000001474046

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Available files

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