Vitas-M small molecule compound
3-[5-({2-[(4-ethylphenyl)amino]-2-oxoethyl}sulfanyl)-4-methyl-4H-1,2,4-triazol-3-yl]-N-(2-fluorophenyl)propanamide
Catalog ID
STK230294
SMILES CCc1ccc(cc1)NC(=O)CSc1nnc(n1C)CCC(=O)Nc1ccccc1F
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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 C22H24FN5O2S MW 441.53 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H24FN5O2S/c1-3-15-8-10-16(11-9-15)24-21(30)14-31-22-27-26-19(28(22)2)12-13-20(29)25-18-7-5-4-6-17(18)23/h4-11H,3,12-14H2,1-2H3,(H,24,30)(H,25,29)InChIKey
BORNGMBRPLHXCG-UHFFFAOYSA-NSynonyms
3(5((2((4ETHYLPHENYL)AMINO)2OXOETHYL)SULFANYL)4METHYL4H124TRIAZOL3YL)N(2FLUOROPHENYL)PROPANAMIDE
3(5(2(4ETHYLANILINO)2OXOETHYL)SULFANYL4METHYL124TRIAZOL3YL)N(2FLUOROPHENYL)PROPANAMIDE
CCC1=CC=C(C=C1)NC(=O)CSC2=NN=C(N2C)CCC(=O)NC3=CC=CC=C3F
InChI=1SC22H24FN5O2Sc131581016(11915)2421(30)143122272619(28(22)2)121320(29)2518754617(18)23h411H31214H212H3(H2430)(H2529)
MFCD07358578
ZINC000009262775
ZINC09262775
ZINC9262775
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