Vitas-M small molecule compound
2-[(5-{2-[(2-fluorophenyl)amino]-2-oxoethyl}-4-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]-N-(4-nitrophenyl)butanamide
Catalog ID
STK267260
SMILES CCC(C(=O)Nc1ccc(cc1)[N+](=O)[O-])Sc1nnc(n1C)CC(=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 C21H21FN6O4S MW 472.50 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H21FN6O4S/c1-3-17(20(30)23-13-8-10-14(11-9-13)28(31)32)33-21-26-25-18(27(21)2)12-19(29)24-16-7-5-4-6-15(16)22/h4-11,17H,3,12H2,1-2H3,(H,23,30)(H,24,29)InChIKey
YMWLVBPUSPWEKF-UHFFFAOYSA-NSynonyms
2((5(2((2fluorophenyl)amino)2oxoethyl)4methyl4H124triazol3yl)sulfanyl)N(4nitrophenyl)butanamide
2((5(2(2fluoroanilino)2oxoethyl)4methyl124triazol3yl)sulfanyl)N(4nitrophenyl)butanamide
2(5((2FLUOROPHENYLCARBAMOYL)METHYL)4METHYL4H(124)TRIAZOL3YLSULFANYL)N(4NITROPHENYL)BUTYRAMIDE
CCC(C(=O)NC1=CC=C(C=C1)(N+)(=O)(O))SC2=NN=C(N2C)CC(=O)NC3=CC=CC=C3F
CCC(C(=O)Nc1ccc(cc1)(N+)(=O)(O))Sc1nnc(n1C)CC(=O)Nc1ccccc1F
InChI=1SC21H21FN6O4Sc1317(20(30)231381014(11913)28(31)32)3321262518(27(21)2)1219(29)2416754615(16)22h41117H312H212H3(H2330)(H2429)
MFCD09267899
ZINC000009583178
ZINC000009583182
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