Vitas-M small molecule compound
3-({[(4-ethyl-5-{[(1-methylnaphthalen-2-yl)oxy]methyl}-4H-1,2,4-triazol-3-yl)sulfanyl]acetyl}amino)benzoic acid
Catalog ID
STK197703
SMILES CCn1c(SCC(=O)Nc2cccc(c2)C(=O)O)nnc1COc1ccc2c(c1C)cccc2
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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 C25H24N4O4S MW 476.56 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H24N4O4S/c1-3-29-22(14-33-21-12-11-17-7-4-5-10-20(17)16(21)2)27-28-25(29)34-15-23(30)26-19-9-6-8-18(13-19)24(31)32/h4-13H,3,14-15H2,1-2H3,(H,26,30)(H,31,32)InChIKey
RXEXJKIMYKYZMJ-UHFFFAOYSA-NSynonyms
3((((4ETHYL5(((1METHYLNAPHTHALEN2YL)OXY)METHYL)4H124TRIAZOL3YL)SULFANYL)ACETYL)AMINO)BENZOICACID
3((2((4ETHYL5((1METHYLNAPHTHALEN2YL)OXYMETHYL)124TRIAZOL3YL)SULFANYL)ACETYL)AMINO)BENZOICACID
CCN1C(=NN=C1SCC(=O)NC2=CC=CC(=C2)C(=O)O)COC3=C(C4=CC=CC=C4C=C3)C
InChI=1SC25H24N4O4Sc132922(1433211211177451020(17)16(21)2)272825(29)341523(30)261996818(1319)24(31)32h413H31415H212H3(H2630)(H3132)
MFCD04376723
ZINC000002862052
ZINC2862052
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