Vitas-M small molecule compound
3-({[(4-methyl-5-{[(1-methylnaphthalen-2-yl)oxy]methyl}-4H-1,2,4-triazol-3-yl)sulfanyl]acetyl}amino)benzoic acid
Catalog ID
STL195680
SMILES O=C(Nc1cccc(c1)C(=O)O)CSc1nnc(n1C)COc1ccc2c(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 C24H22N4O4S MW 462.53 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H22N4O4S/c1-15-19-9-4-3-6-16(19)10-11-20(15)32-13-21-26-27-24(28(21)2)33-14-22(29)25-18-8-5-7-17(12-18)23(30)31/h3-12H,13-14H2,1-2H3,(H,25,29)(H,30,31)InChIKey
UJPYNRBCGTXLGU-UHFFFAOYSA-NSynonyms
3((((4methyl5(((1methylnaphthalen2yl)oxy)methyl)4H124triazol3yl)sulfanyl)acetyl)amino)benzoicacid
3((2((4METHYL5((1METHYLNAPHTHALEN2YL)OXYMETHYL)124TRIAZOL3YL)SULFANYL)ACETYL)AMINO)BENZOICACID
CC1=C(C=CC2=CC=CC=C12)OCC3=NN=C(N3C)SCC(=O)NC4=CC=CC(=C4)C(=O)O
InChI=1SC24H22N4O4Sc11519943616(19)101120(15)321321262724(28(21)2)331422(29)251885717(1218)23(30)31h312H1314H212H3(H2529)(H3031)
MFCD22125447
ZINC000033721365
ZINC33721365
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