Vitas-M small molecule compound

2-{[4,5-bis(4-methoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N'-[(1E,2E)-3-phenylprop-2-en-1-ylidene]acetohydrazide

Catalog ID
STL337892
SMILES COc1ccc(cc1)n1c(SCC(=O)N/N=C/C=C/c2ccccc2)nnc1c1ccc(cc1)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 C27H25N5O3S MW 499.59 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H25N5O3S/c1-34-23-14-10-21(11-15-23)26-30-31-27(32(26)22-12-16-24(35-2)17-13-22)36-19-25(33)29-28-18-6-9-20-7-4-3-5-8-20/h3-18H,19H2,1-2H3,(H,29,33)/b9-6+,28-18+
InChIKey
ZSUQEQLSMHTRAA-RKUQBJHPSA-N
Synonyms
406464-34-4
(E)2((45bis(4methoxyphenyl)4H124triazol3yl)thio)N((E)3phenylallylidene)acetohydrazide
2((45BIS(4METHOXYPHENYL)124TRIAZOL3YL)SULFANYL)N((E)((E)3PHENYLPROP2ENYLIDENE)AMINO)ACETAMIDE
2((45bis(4methoxyphenyl)4H124triazol3yl)sulfanyl)N((1E2E)3phenylprop2en1ylidene)acetohydrazide
406464344
COC1=CC=C(C=C1)C2=NN=C(N2C3=CC=C(C=C3)OC)SCC(=O)NN=CC=CC4=CC=CC=C4
COc1ccc(cc1)n1c(SCC(=O)NN=CC=Cc2ccccc2)nnc1c1ccc(cc1)OC
InChI=1SC27H25N5O3Sc13423141021(111523)26303127(32(26)22121624(352)171322)361925(33)29281869207435820h318H19H212H3(H2933)b96+2818+
MFCD03220706
N((1E3E)4PHENYL1AZABUTA13DIENYL)2(45BIS(4METHOXYPHENYL)(124TRIAZOL3YLTHIO))ACETAMIDE
ZINC000002233059
ZINC33665744

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Available files

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