Vitas-M small molecule compound
3-{(1Z)-1-[2-({[4-phenyl-5-(3,4,5-trimethoxyphenyl)-4H-1,2,4-triazol-2-ium-3-yl]sulfanyl}acetyl)hydrazinylidene]ethyl}phenolate
Catalog ID
STK560010
SMILES COc1cc(cc(c1OC)OC)c1n[nH+]c(n1c1ccccc1)SCC(=O)N/N=C(\c1cccc(c1)[O-])/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 C27H27N5O5S MW 533.61 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H27N5O5S/c1-17(18-9-8-12-21(33)13-18)28-29-24(34)16-38-27-31-30-26(32(27)20-10-6-5-7-11-20)19-14-22(35-2)25(37-4)23(15-19)36-3/h5-15,33H,16H2,1-4H3,(H,29,34)/b28-17-InChIKey
GWGOWMKRFAWIKU-QRQIAZFYSA-NSynonyms
315184-63-53((1Z)1(2(((4phenyl5(345trimethoxyphenyl)4H124triazol2ium3yl)sulfanyl)acetyl)hydrazinylidene)ethyl)phenolate
315184635
COc1cc(cc(c1OC)OC)c1n(nH+)c(n1c1ccccc1)SCC(=O)NN=C(c1cccc(c1)(O))C
InChI=1SC27H27N5O5Sc117(18981221(33)1318)282924(34)163827313026(32(27)20106571120)191422(352)25(374)23(1519)363h51533H16H214H3(H2934)b2817
MFCD02075208
N((1Z)2(3HYDROXYPHENYL)1AZAPROP1ENYL)2(4PHENYL5(345TRIMETHOXYPHENYL)(124TRIAZOL3YLTHIO))ACETAMIDE
N((Z)1(3HYDROXYPHENYL)ETHYLIDENEAMINO)2((4PHENYL5(345TRIMETHOXYPHENYL)124TRIAZOL3YL)SULFANYL)ACETAMIDE
ZINC000100318001
ZINC100317996
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