Vitas-M small molecule compound
3-{[({4-methyl-5-[(2-methylphenoxy)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)acetyl]amino}benzoic acid
Catalog ID
STL182099
SMILES O=C(Nc1cccc(c1)C(=O)O)CSc1nnc(n1C)COc1ccccc1C
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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 C20H20N4O4S MW 412.47 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H20N4O4S/c1-13-6-3-4-9-16(13)28-11-17-22-23-20(24(17)2)29-12-18(25)21-15-8-5-7-14(10-15)19(26)27/h3-10H,11-12H2,1-2H3,(H,21,25)(H,26,27)InChIKey
CJSHZFZZZXFUQW-UHFFFAOYSA-NSynonyms
3((((4methyl5((2methylphenoxy)methyl)4H124triazol3yl)sulfanyl)acetyl)amino)benzoicacid
3((2((4methyl5((2methylphenoxy)methyl)124triazol3yl)sulfanyl)acetyl)amino)benzoicacid
CC1=CC=CC=C1OCC2=NN=C(N2C)SCC(=O)NC3=CC=CC(=C3)C(=O)O
InChI=1SC20H20N4O4Sc113634916(13)281117222320(24(17)2)291218(25)211585714(1015)19(26)27h310H1112H212H3(H2125)(H2627)
MFCD22125454
ZINC000072191526
ZINC72191526
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