Vitas-M small molecule compound
2-{[5-(3-nitrophenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N'-[(E)-(3,4,5-trimethoxyphenyl)methylidene]acetohydrazide
Catalog ID
STL340389
SMILES COc1cc(/C=N/NC(=O)CSc2nnc(n2c2ccccc2)c2cccc(c2)[N+](=O)[O-])cc(c1OC)OC
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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 C26H24N6O6S MW 548.58 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H24N6O6S/c1-36-21-12-17(13-22(37-2)24(21)38-3)15-27-28-23(33)16-39-26-30-29-25(31(26)19-9-5-4-6-10-19)18-8-7-11-20(14-18)32(34)35/h4-15H,16H2,1-3H3,(H,28,33)/b27-15+InChIKey
KCCPUMOWDKAVIE-JFLMPSFJSA-NSynonyms
347416-43-7(E)2((5(3nitrophenyl)4phenyl4H124triazol3yl)thio)N(345trimethoxybenzylidene)acetohydrazide
2((5(3nitrophenyl)4phenyl124triazol3yl)sulfanyl)N((E)(345trimethoxyphenyl)methylideneamino)acetamide
2((5(3nitrophenyl)4phenyl4H124triazol3yl)sulfanyl)N((E)(345trimethoxyphenyl)methylidene)acetohydrazide
347416437
COC1=CC(=CC(=C1OC)OC)C=NNC(=O)CSC2=NN=C(N2C3=CC=CC=C3)C4=CC(=CC=C4)(N+)(=O)(O)
COc1cc(C=NNC(=O)CSc2nnc(n2c2ccccc2)c2cccc(c2)(N+)(=O)(O))cc(c1OC)OC
InChI=1SC26H24N6O6Sc136211217(1322(372)24(21)383)15272823(33)163926302925(31(26)1995461019)18871120(1418)32(34)35h415H16H213H3(H2833)b2715+
MFCD01586535
ZINC000100328898
ZINC100328893
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