Vitas-M small molecule compound

2-{[4-ethyl-5-(4-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N'-[(1E)-1-(4-fluorophenyl)ethylidene]acetohydrazide

Catalog ID
STK109078
SMILES CCn1c(SCC(=O)N/N=C(/c2ccc(cc2)F)\C)nnc1c1ccc(cc1)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 C21H22FN5OS MW 411.50 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H22FN5OS/c1-4-27-20(17-7-5-14(2)6-8-17)25-26-21(27)29-13-19(28)24-23-15(3)16-9-11-18(22)12-10-16/h5-12H,4,13H2,1-3H3,(H,24,28)/b23-15+
InChIKey
ANMPPHICIGQRMS-HZHRSRAPSA-N
Synonyms
497078-83-8
(E)2((4ethyl5(ptolyl)4H124triazol3yl)thio)N(1(4fluorophenyl)ethylidene)acetohydrazide
2((4ETHYL5(4METHYLPHENYL)124TRIAZOL3YL)SULFANYL)N((E)1(4FLUOROPHENYL)ETHYLIDENEAMINO)ACETAMIDE
2((4ETHYL5(4METHYLPHENYL)4H124TRIAZOL3YL)SULFANYL)N((1E)1(4FLUOROPHENYL)ETHYLIDENE)ACETOHYDRAZIDE
497078838
CCN1C(=NN=C1SCC(=O)NN=C(C)C2=CC=C(C=C2)F)C3=CC=C(C=C3)C
CCn1c(SCC(=O)NN=C(c2ccc(cc2)F)C)nnc1c1ccc(cc1)C
InChI=1SC21H22FN5OSc142720(177514(2)6817)252621(27)291319(28)242315(3)1691118(22)121016h512H413H213H3(H2428)b2315+
MFCD03219528
N((1E)2(4FLUOROPHENYL)1AZAPROP1ENYL)2(4ETHYL5(4METHYLPHENYL)(124TRIAZOL3YLTHIO))ACETAMIDE
ZINC000004680436
ZINC33716369

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Available files

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