Vitas-M small molecule compound
methyl 4-[({[4-ethyl-5-({[(4-methylphenyl)carbonyl]amino}methyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetyl)amino]benzoate
Catalog ID
STK140271
SMILES COC(=O)c1ccc(cc1)NC(=O)CSc1nnc(n1CC)CNC(=O)c1ccc(cc1)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 C23H25N5O4S MW 467.55 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H25N5O4S/c1-4-28-19(13-24-21(30)16-7-5-15(2)6-8-16)26-27-23(28)33-14-20(29)25-18-11-9-17(10-12-18)22(31)32-3/h5-12H,4,13-14H2,1-3H3,(H,24,30)(H,25,29)InChIKey
BAPACAFTRQXBAI-UHFFFAOYSA-NSynonyms
CCN1C(=NN=C1SCC(=O)NC2=CC=C(C=C2)C(=O)OC)CNC(=O)C3=CC=C(C=C3)C
InChI=1SC23H25N5O4Sc142819(132421(30)167515(2)6816)262723(28)331420(29)251811917(101218)22(31)323h512H41314H213H3(H2430)(H2529)
METHYL4((((4ETHYL5((((4METHYLPHENYL)CARBONYL)AMINO)METHYL)4H124TRIAZOL3YL)SULFANYL)ACETYL)AMINO)BENZOATE
METHYL4((((4ETHYL5(((4METHYLBENZOYL)AMINO)METHYL)4H124TRIAZOL3YL)SULFANYL)ACETYL)AMINO)BENZOATE
METHYL4((2((4ETHYL5(((4METHYLBENZOYL)AMINO)METHYL)124TRIAZOL3YL)SULFANYL)ACETYL)AMINO)BENZOATE
MFCD04212884
ZINC000001122366
ZINC01122366
ZINC1122366
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