Vitas-M small molecule compound
N'-[(1E,2E)-3-(2-nitrophenyl)prop-2-en-1-ylidene]-2-{[4-phenyl-5-(3,4,5-trimethoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetohydrazide
Catalog ID
STL412466
SMILES COc1cc(cc(c1OC)OC)c1nnc(n1c1ccccc1)SCC(=O)N/N=C/C=C/c1ccccc1[N+](=O)[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 C28H26N6O6S MW 574.62 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H26N6O6S/c1-38-23-16-20(17-24(39-2)26(23)40-3)27-31-32-28(33(27)21-12-5-4-6-13-21)41-18-25(35)30-29-15-9-11-19-10-7-8-14-22(19)34(36)37/h4-17H,18H2,1-3H3,(H,30,35)/b11-9+,29-15+InChIKey
JAPAGKSLSNUPKD-VPHZGPCQSA-NSynonyms
(E)N((E)3(2nitrophenyl)allylidene)2((4phenyl5(345trimethoxyphenyl)4H124triazol3yl)thio)acetohydrazide
COC1=CC(=CC(=C1OC)OC)C2=NN=C(N2C3=CC=CC=C3)SCC(=O)NN=CC=CC4=CC=CC=C4(N+)(=O)(O)
COc1cc(cc(c1OC)OC)c1nnc(n1c1ccccc1)SCC(=O)NN=CC=Cc1ccccc1(N+)(=O)(O)
InChI=1SC28H26N6O6Sc138231620(1724(392)26(23)403)27313228(33(27)21125461321)411825(35)3029159111910781422(19)34(36)37h417H18H213H3(H3035)b119+2915+
MFCD03091583
N((1E2E)3(2nitrophenyl)prop2en1ylidene)2((4phenyl5(345trimethoxyphenyl)4H124triazol3yl)sulfanyl)acetohydrazide
N((E)((E)3(2nitrophenyl)prop2enylidene)amino)2((4phenyl5(345trimethoxyphenyl)124triazol3yl)sulfanyl)acetamide
ZINC000100743352
ZINC103442068
Check stock
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Check stock on Vitas-MAvailable files
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