Vitas-M small molecule compound

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

Catalog ID
STK105661
SMILES COc1ccc(cc1)c1nnc(n1c1ccc(cc1)C)SCC(=O)N/N=C/C=C/c1ccccc1

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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 C27H25N5O2S MW 483.59 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H25N5O2S/c1-20-10-14-23(15-11-20)32-26(22-12-16-24(34-2)17-13-22)30-31-27(32)35-19-25(33)29-28-18-6-9-21-7-4-3-5-8-21/h3-18H,19H2,1-2H3,(H,29,33)/b9-6+,28-18+
InChIKey
JCWHWEZMJBYAOM-RKUQBJHPSA-N
Synonyms
497941-64-7
(E)2((5(4methoxyphenyl)4(ptolyl)4H124triazol3yl)thio)N((E)3phenylallylidene)acetohydrazide
2((5(4METHOXYPHENYL)4(4METHYLPHENYL)124TRIAZOL3YL)SULFANYL)N((E)((E)3PHENYLPROP2ENYLIDENE)AMINO)ACETAMIDE
2((5(4METHOXYPHENYL)4(4METHYLPHENYL)4H124TRIAZOL3YL)SULFANYL)N((1E2E)3PHENYLPROP2EN1YLIDENE)ACETOHYDRAZIDE
497941647
CC1=CC=C(C=C1)N2C(=NN=C2SCC(=O)NN=CC=CC3=CC=CC=C3)C4=CC=C(C=C4)OC
COc1ccc(cc1)c1nnc(n1c1ccc(cc1)C)SCC(=O)NN=CC=Cc1ccccc1
InChI=1SC27H25N5O2Sc120101423(151120)3226(22121624(342)171322)303127(32)351925(33)29281869217435821h318H19H212H3(H2933)b96+2818+
MFCD03220428
N((1E3E)4PHENYL1AZABUTA13DIENYL)2(5(4METHOXYPHENYL)4(4METHYLPHENYL)(124TRIAZOL3YLTHIO))ACETAMIDE
ZINC000002347600
ZINC34721872

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Available files

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