Vitas-M small molecule compound
3-[({[4-ethyl-5-({[(2-fluorophenyl)carbonyl]amino}methyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetyl)amino]benzoic acid
Catalog ID
STK202157
SMILES CCn1c(SCC(=O)Nc2cccc(c2)C(=O)O)nnc1CNC(=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 C21H20FN5O4S MW 457.49 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H20FN5O4S/c1-2-27-17(11-23-19(29)15-8-3-4-9-16(15)22)25-26-21(27)32-12-18(28)24-14-7-5-6-13(10-14)20(30)31/h3-10H,2,11-12H2,1H3,(H,23,29)(H,24,28)(H,30,31)InChIKey
XAIUJEYCOZQRRR-UHFFFAOYSA-NSynonyms
3((((4ETHYL5((((2FLUOROPHENYL)CARBONYL)AMINO)METHYL)4H124TRIAZOL3YL)SULFANYL)ACETYL)AMINO)BENZOICACID
3((2((4ethyl5(((2fluorobenzoyl)amino)methyl)124triazol3yl)sulfanyl)acetyl)amino)benzoicacid
CCN1C(=NN=C1SCC(=O)NC2=CC=CC(=C2)C(=O)O)CNC(=O)C3=CC=CC=C3F
InChI=1SC21H20FN5O4Sc122717(112319(29)15834916(15)22)252621(27)321218(28)241475613(1014)20(30)31h310H21112H21H3(H2329)(H2428)(H3031)
MFCD04329701
ZINC000009944319
ZINC9944319
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