Vitas-M small molecule compound
N'-cyclohexylidene-2-{[5-{[(4-methylphenyl)amino]methyl}-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetohydrazide
Catalog ID
STK958873
SMILES C=CCn1c(SCC(=O)NN=C2CCCCC2)nnc1CNc1ccc(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 C21H28N6OS MW 412.56 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H28N6OS/c1-3-13-27-19(14-22-17-11-9-16(2)10-12-17)24-26-21(27)29-15-20(28)25-23-18-7-5-4-6-8-18/h3,9-12,22H,1,4-8,13-15H2,2H3,(H,25,28)InChIKey
XXTVNHIBFCRKNV-UHFFFAOYSA-NSynonyms
CC1=CC=C(C=C1)NCC2=NN=C(N2CC=C)SCC(=O)NN=C3CCCCC3
InChI=1SC21H28N6OSc13132719(14221711916(2)101217)242621(27)291520(28)2523187546818h391222H1481315H22H3(H2528)
MFCD01438132
N(cyclohexylideneamino)2((5((4methylanilino)methyl)4prop2enyl124triazol3yl)sulfanyl)acetamide
Ncyclohexylidene2((5(((4methylphenyl)amino)methyl)4(prop2en1yl)4H124triazol3yl)sulfanyl)acetohydrazide
ZINC000005394356
ZINC05394356
ZINC5394356
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