Vitas-M small molecule compound
3-[({[5-{2-[(3,4-dimethylphenyl)amino]-2-oxoethyl}-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetyl)amino]benzoic acid
Catalog ID
STL182136
SMILES C=CCn1c(SCC(=O)Nc2cccc(c2)C(=O)O)nnc1CC(=O)Nc1ccc(c(c1)C)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 C24H25N5O4S MW 479.56 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H25N5O4S/c1-4-10-29-20(13-21(30)25-19-9-8-15(2)16(3)11-19)27-28-24(29)34-14-22(31)26-18-7-5-6-17(12-18)23(32)33/h4-9,11-12H,1,10,13-14H2,2-3H3,(H,25,30)(H,26,31)(H,32,33)InChIKey
SLNRLSDFLWPTMX-UHFFFAOYSA-NSynonyms
3((((5(2((34dimethylphenyl)amino)2oxoethyl)4(prop2en1yl)4H124triazol3yl)sulfanyl)acetyl)amino)benzoicacid
3((2((5(2(34dimethylanilino)2oxoethyl)4prop2enyl124triazol3yl)sulfanyl)acetyl)amino)benzoicacid
CC1=C(C=C(C=C1)NC(=O)CC2=NN=C(N2CC=C)SCC(=O)NC3=CC=CC(=C3)C(=O)O)C
InChI=1SC24H25N5O4Sc14102920(1321(30)25199815(2)16(3)1119)272824(29)341422(31)261875617(1218)23(32)33h491112H1101314H223H3(H2530)(H2631)(H3233)
MFCD22125402
ZINC000072191474
ZINC72191474
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