Vitas-M small molecule compound
methyl 3-[({[5-({[(4-fluorophenyl)carbonyl]amino}methyl)-4-methyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetyl)amino]benzoate
Catalog ID
STL122250
SMILES COC(=O)c1cccc(c1)NC(=O)CSc1nnc(n1C)CNC(=O)c1ccc(cc1)F
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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 C21H20FN5O4S MW 457.49 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H20FN5O4S/c1-27-17(11-23-19(29)13-6-8-15(22)9-7-13)25-26-21(27)32-12-18(28)24-16-5-3-4-14(10-16)20(30)31-2/h3-10H,11-12H2,1-2H3,(H,23,29)(H,24,28)InChIKey
HSJVBUKKBADZPV-UHFFFAOYSA-NSynonyms
CN1C(=NN=C1SCC(=O)NC2=CC=CC(=C2)C(=O)OC)CNC(=O)C3=CC=C(C=C3)F
InChI=1SC21H20FN5O4Sc12717(112319(29)136815(22)9713)252621(27)321218(28)241653414(1016)20(30)312h310H1112H212H3(H2329)(H2428)
methyl3((((5((((4fluorophenyl)carbonyl)amino)methyl)4methyl4H124triazol3yl)sulfanyl)acetyl)amino)benzoate
METHYL3((2((5(((4FLUOROBENZOYL)AMINO)METHYL)4METHYL124TRIAZOL3YL)SULFANYL)ACETYL)AMINO)BENZOATE
MFCD05992361
ZINC000016361427
ZINC16361427
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