Vitas-M small molecule compound
2-fluoro-N-[1-(4-methyl-5-{[2-(3-nitrophenyl)-2-oxoethyl]sulfanyl}-4H-1,2,4-triazol-3-yl)ethyl]benzamide
Catalog ID
STK297174
SMILES CC(c1nnc(n1C)SCC(=O)c1cccc(c1)[N+](=O)[O-])NC(=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 C20H18FN5O4S MW 443.46 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H18FN5O4S/c1-12(22-19(28)15-8-3-4-9-16(15)21)18-23-24-20(25(18)2)31-11-17(27)13-6-5-7-14(10-13)26(29)30/h3-10,12H,11H2,1-2H3,(H,22,28)InChIKey
MCCIHEOBTSXNPK-UHFFFAOYSA-NSynonyms
2FLUORON(1(4METHYL5((2(3NITROPHENYL)2OXOETHYL)SULFANYL)4H124TRIAZOL3YL)ETHYL)BENZAMIDE
2FLUORON(1(4METHYL5(2(3NITROPHENYL)2OXOETHYL)SULFANYL124TRIAZOL3YL)ETHYL)BENZAMIDE
2FLUORON(1(4METHYL5(2(3NITROPHENYL)2OXOETHYLSULFANYL)4H(124)TRIAZOL3YL)ETHYL)BENZAMIDE
CC(C1=NN=C(N1C)SCC(=O)C2=CC(=CC=C2)(N+)(=O)(O))NC(=O)C3=CC=CC=C3F
CC(c1nnc(n1C)SCC(=O)c1cccc(c1)(N+)(=O)(O))NC(=O)c1ccccc1F
InChI=1SC20H18FN5O4Sc112(2219(28)15834916(15)21)18232420(25(18)2)311117(27)1365714(1013)26(29)30h31012H11H212H3(H2228)
MFCD09960772
ZINC000013955838
ZINC000013955840
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