Vitas-M small molecule compound
ethyl 3-[({[5-({[(2-fluorophenyl)carbonyl]amino}methyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetyl)amino]benzoate
Catalog ID
STK137683
SMILES CCOC(=O)c1cccc(c1)NC(=O)CSc1nnc(n1c1ccccc1)CNC(=O)c1ccccc1F
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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 C27H24FN5O4S MW 533.58 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H24FN5O4S/c1-2-37-26(36)18-9-8-10-19(15-18)30-24(34)17-38-27-32-31-23(33(27)20-11-4-3-5-12-20)16-29-25(35)21-13-6-7-14-22(21)28/h3-15H,2,16-17H2,1H3,(H,29,35)(H,30,34)InChIKey
KQPFPKSWTCPICS-UHFFFAOYSA-NSynonyms
CCOC(=O)C1=CC(=CC=C1)NC(=O)CSC2=NN=C(N2C3=CC=CC=C3)CNC(=O)C4=CC=CC=C4F
ETHYL3((((5((((2FLUOROPHENYL)CARBONYL)AMINO)METHYL)4PHENYL4H124TRIAZOL3YL)SULFANYL)ACETYL)AMINO)BENZOATE
ETHYL3((2((5(((2FLUOROBENZOYL)AMINO)METHYL)4PHENYL124TRIAZOL3YL)SULFANYL)ACETYL)AMINO)BENZOATE
InChI=1SC27H24FN5O4Sc123726(36)18981019(1518)3024(34)173827323123(33(27)20114351220)162925(35)2113671422(21)28h315H21617H21H3(H2935)(H3034)
MFCD04396568
ZINC000059775293
ZINC59775293
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