Vitas-M small molecule compound
methyl 4-({[(4-methyl-5-{[(phenylcarbonyl)amino]methyl}-4H-1,2,4-triazol-3-yl)sulfanyl]acetyl}amino)benzoate
Catalog ID
STK139821
SMILES COC(=O)c1ccc(cc1)NC(=O)CSc1nnc(n1C)CNC(=O)c1ccccc1
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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 C21H21N5O4S MW 439.50 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H21N5O4S/c1-26-17(12-22-19(28)14-6-4-3-5-7-14)24-25-21(26)31-13-18(27)23-16-10-8-15(9-11-16)20(29)30-2/h3-11H,12-13H2,1-2H3,(H,22,28)(H,23,27)InChIKey
HNZZPVDXVVWWBJ-UHFFFAOYSA-NSynonyms
CN1C(=NN=C1SCC(=O)NC2=CC=C(C=C2)C(=O)OC)CNC(=O)C3=CC=CC=C3
InChI=1SC21H21N5O4Sc12617(122219(28)146435714)242521(26)311318(27)231610815(91116)20(29)302h311H1213H212H3(H2228)(H2327)
METHYL4((((4METHYL5(((PHENYLCARBONYL)AMINO)METHYL)4H124TRIAZOL3YL)SULFANYL)ACETYL)AMINO)BENZOATE
METHYL4((2((5(BENZAMIDOMETHYL)4METHYL124TRIAZOL3YL)SULFANYL)ACETYL)AMINO)BENZOATE
MFCD04209348
ZINC000002835285
ZINC02835285
ZINC2835285
Check stock
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Check stock on Vitas-MAvailable files
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