Vitas-M small molecule compound
3-{[({4-methyl-5-[(3-methylphenoxy)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)acetyl]amino}benzoic acid
Catalog ID
STK142083
SMILES O=C(Nc1cccc(c1)C(=O)O)CSc1nnc(n1C)COc1cccc(c1)C
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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/c1-13-5-3-8-16(9-13)28-11-17-22-23-20(24(17)2)29-12-18(25)21-15-7-4-6-14(10-15)19(26)27/h3-10H,11-12H2,1-2H3,(H,21,25)(H,26,27)InChIKey
KPWOROZYVRMSLJ-UHFFFAOYSA-NSynonyms
3((((4METHYL5((3METHYLPHENOXY)METHYL)4H124TRIAZOL3YL)SULFANYL)ACETYL)AMINO)BENZOICACID
3((2((4METHYL5((3METHYLPHENOXY)METHYL)124TRIAZOL3YL)SULFANYL)ACETYL)AMINO)BENZOICACID
CC1=CC(=CC=C1)OCC2=NN=C(N2C)SCC(=O)NC3=CC=CC(=C3)C(=O)O
InChI=1SC20H20N4O4Sc11353816(913)281117222320(24(17)2)291218(25)211574614(1015)19(26)27h310H1112H212H3(H2125)(H2627)
MFCD04091023
ZINC000000687558
ZINC687558
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