Vitas-M small molecule compound
3-[({[5-{2-[(4-fluorophenyl)amino]-2-oxoethyl}-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetyl)amino]benzoic acid
Catalog ID
STL182109
SMILES C=CCn1c(SCC(=O)Nc2cccc(c2)C(=O)O)nnc1CC(=O)Nc1ccc(cc1)F
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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 C22H20FN5O4S MW 469.50 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H20FN5O4S/c1-2-10-28-18(12-19(29)24-16-8-6-15(23)7-9-16)26-27-22(28)33-13-20(30)25-17-5-3-4-14(11-17)21(31)32/h2-9,11H,1,10,12-13H2,(H,24,29)(H,25,30)(H,31,32)InChIKey
UXXGXHHPTXTXNG-UHFFFAOYSA-NSynonyms
3((((5(2((4fluorophenyl)amino)2oxoethyl)4(prop2en1yl)4H124triazol3yl)sulfanyl)acetyl)amino)benzoicacid
3((2((5(2(4fluoroanilino)2oxoethyl)4prop2enyl124triazol3yl)sulfanyl)acetyl)amino)benzoicacid
C=CCN1C(=NN=C1SCC(=O)NC2=CC=CC(=C2)C(=O)O)CC(=O)NC3=CC=C(C=C3)F
InChI=1SC22H20FN5O4Sc12102818(1219(29)24168615(23)7916)262722(28)331320(30)251753414(1117)21(31)32h2911H1101213H2(H2429)(H2530)(H3132)
MFCD22125403
ZINC000072191475
ZINC72191475
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