Vitas-M small molecule compound
ethyl 4-[({[4-methyl-5-({[(2-methylphenyl)carbonyl]amino}methyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetyl)amino]benzoate
Catalog ID
STK139852
SMILES CCOC(=O)c1ccc(cc1)NC(=O)CSc1nnc(n1C)CNC(=O)c1ccccc1C
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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 C23H25N5O4S MW 467.55 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H25N5O4S/c1-4-32-22(31)16-9-11-17(12-10-16)25-20(29)14-33-23-27-26-19(28(23)3)13-24-21(30)18-8-6-5-7-15(18)2/h5-12H,4,13-14H2,1-3H3,(H,24,30)(H,25,29)InChIKey
ZUTQLCNVVNEQJQ-UHFFFAOYSA-NSynonyms
CCOC(=O)C1=CC=C(C=C1)NC(=O)CSC2=NN=C(N2C)CNC(=O)C3=CC=CC=C3C
ETHYL4((((4METHYL5((((2METHYLPHENYL)CARBONYL)AMINO)METHYL)4H124TRIAZOL3YL)SULFANYL)ACETYL)AMINO)BENZOATE
ETHYL4((2((4METHYL5(((2METHYLBENZOYL)AMINO)METHYL)124TRIAZOL3YL)SULFANYL)ACETYL)AMINO)BENZOATE
InChI=1SC23H25N5O4Sc143222(31)1691117(121016)2520(29)143323272619(28(23)3)132421(30)18865715(18)2h512H41314H213H3(H2430)(H2529)
MFCD03998242
ZINC000013880038
ZINC13880038
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