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}-2-ethoxyphenolate
Catalog ID
STL036985
SMILES CCOc1cc(/C=N/NC(=O)CSc2[nH+]nc(n2CC)c2ccc(cc2)C(C)(C)C)ccc1[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 C25H31N5O3S MW 481.62 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H31N5O3S/c1-6-30-23(18-9-11-19(12-10-18)25(3,4)5)28-29-24(30)34-16-22(32)27-26-15-17-8-13-20(31)21(14-17)33-7-2/h8-15,31H,6-7,16H2,1-5H3,(H,27,32)/b26-15+InChIKey
TXSWNHIVAPZKMG-CVKSISIWSA-NSynonyms
380473-33-6380473336
4((E)(2(((5(4tertbutylphenyl)4ethyl4H124triazol2ium3yl)sulfanyl)acetyl)hydrazinylidene)methyl)2ethoxyphenolate
CCOc1cc(C=NNC(=O)CSc2(nH+)nc(n2CC)c2ccc(cc2)C(C)(C)C)ccc1(O)
MFCD03154821
ZINC000002325779
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