Vitas-M small molecule compound
4-{(1Z)-1-[2-({[5-(4-chlorophenyl)-4-(4-ethoxyphenyl)-4H-1,2,4-triazol-2-ium-3-yl]sulfanyl}acetyl)hydrazinylidene]propyl}phenolate
Catalog ID
STL047345
SMILES CCOc1ccc(cc1)n1c(SCC(=O)N/N=C(\c2ccc(cc2)[O-])/CC)[nH+]nc1c1ccc(cc1)Cl
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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 C27H26ClN5O3S MW 536.05 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H26ClN5O3S/c1-3-24(18-7-13-22(34)14-8-18)29-30-25(35)17-37-27-32-31-26(19-5-9-20(28)10-6-19)33(27)21-11-15-23(16-12-21)36-4-2/h5-16,34H,3-4,17H2,1-2H3,(H,30,35)/b29-24-InChIKey
XPGFBULAFGKEIZ-OLFWJLLRSA-NSynonyms
497950-83-14((1Z)1(2(((5(4chlorophenyl)4(4ethoxyphenyl)4H124triazol2ium3yl)sulfanyl)acetyl)hydrazinylidene)propyl)phenolate
497950831
CCOc1ccc(cc1)n1c(SCC(=O)NN=C(c2ccc(cc2)(O))CC)(nH+)nc1c1ccc(cc1)Cl
MFCD03303753
ZINC000100900354
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