Vitas-M small molecule compound
3-[({[5-(phenoxymethyl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetyl)amino]benzoic acid
Catalog ID
STL183099
SMILES C=CCn1c(SCC(=O)Nc2cccc(c2)C(=O)O)nnc1COc1ccccc1
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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 C21H20N4O4S MW 424.48 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H20N4O4S/c1-2-11-25-18(13-29-17-9-4-3-5-10-17)23-24-21(25)30-14-19(26)22-16-8-6-7-15(12-16)20(27)28/h2-10,12H,1,11,13-14H2,(H,22,26)(H,27,28)InChIKey
WGMWWDIAGPEMEQ-UHFFFAOYSA-NSynonyms
3((((5(phenoxymethyl)4(prop2en1yl)4H124triazol3yl)sulfanyl)acetyl)amino)benzoicacid
3((2((5(phenoxymethyl)4prop2enyl124triazol3yl)sulfanyl)acetyl)amino)benzoicacid
C=CCN1C(=NN=C1SCC(=O)NC2=CC=CC(=C2)C(=O)O)COC3=CC=CC=C3
InChI=1SC21H20N4O4Sc12112518(13291794351017)232421(25)301419(26)221686715(1216)20(27)28h21012H1111314H2(H2226)(H2728)
MFCD22125449
ZINC000072191519
ZINC72191519
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