Vitas-M small molecule compound

4-{(1Z)-1-[2-({[4-(4-ethoxyphenyl)-5-phenyl-4H-1,2,4-triazol-2-ium-3-yl]sulfanyl}acetyl)hydrazinylidene]ethyl}-2-methoxyphenolate

Catalog ID
STL047309
SMILES CCOc1ccc(cc1)n1c(SCC(=O)N/N=C(\c2ccc(c(c2)OC)[O-])/C)[nH+]nc1c1ccccc1

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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 C27H27N5O4S MW 517.61 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H27N5O4S/c1-4-36-22-13-11-21(12-14-22)32-26(19-8-6-5-7-9-19)30-31-27(32)37-17-25(34)29-28-18(2)20-10-15-23(33)24(16-20)35-3/h5-16,33H,4,17H2,1-3H3,(H,29,34)/b28-18-
InChIKey
PBQLYYXLVTZHJH-VEILYXNESA-N
Synonyms
488714-80-3
4((1Z)1(2(((4(4ethoxyphenyl)5phenyl4H124triazol2ium3yl)sulfanyl)acetyl)hydrazinylidene)ethyl)2methoxyphenolate
488714803
CCOc1ccc(cc1)n1c(SCC(=O)NN=C(c2ccc(c(c2)OC)(O))C)(nH+)nc1c1ccccc1
MFCD03290885
ZINC000009019681

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Available files

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