Vitas-M small molecule compound
propan-2-yl 3-[({[4-ethyl-5-(2-fluorophenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetyl)amino]benzoate
Catalog ID
STK186934
SMILES CCn1c(SCC(=O)Nc2cccc(c2)C(=O)OC(C)C)nnc1c1ccccc1F
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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 C22H23FN4O3S MW 442.51 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H23FN4O3S/c1-4-27-20(17-10-5-6-11-18(17)23)25-26-22(27)31-13-19(28)24-16-9-7-8-15(12-16)21(29)30-14(2)3/h5-12,14H,4,13H2,1-3H3,(H,24,28)InChIKey
IINIJYOIWBRXLB-UHFFFAOYSA-NSynonyms
CCN1C(=NN=C1SCC(=O)NC2=CC=CC(=C2)C(=O)OC(C)C)C3=CC=CC=C3F
InChI=1SC22H23FN4O3Sc142720(1710561118(17)23)252622(27)311319(28)241697815(1216)21(29)3014(2)3h51214H413H213H3(H2428)
MFCD06005557
PROPAN2YL3((((4ETHYL5(2FLUOROPHENYL)4H124TRIAZOL3YL)SULFANYL)ACETYL)AMINO)BENZOATE
PROPAN2YL3((2((4ETHYL5(2FLUOROPHENYL)124TRIAZOL3YL)SULFANYL)ACETYL)AMINO)BENZOATE
ZINC000002874422
ZINC02874422
ZINC2874422
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