Vitas-M small molecule compound
2-fluoro-N-{[5-({2-[(2-methyl-5-nitrophenyl)amino]-2-oxoethyl}sulfanyl)-4-phenyl-4H-1,2,4-triazol-3-yl]methyl}benzamide
Catalog ID
STK186597
SMILES O=C(Nc1cc(ccc1C)[N+](=O)[O-])CSc1nnc(n1c1ccccc1)CNC(=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 C25H21FN6O4S MW 520.54 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H21FN6O4S/c1-16-11-12-18(32(35)36)13-21(16)28-23(33)15-37-25-30-29-22(31(25)17-7-3-2-4-8-17)14-27-24(34)19-9-5-6-10-20(19)26/h2-13H,14-15H2,1H3,(H,27,34)(H,28,33)InChIKey
FMMXTGKDSWWJQF-UHFFFAOYSA-NSynonyms
2FLUORON((5((2((2METHYL5NITROPHENYL)AMINO)2OXOETHYL)SULFANYL)4PHENYL4H124TRIAZOL3YL)METHYL)BENZAMIDE
2FLUORON((5(2(2METHYL5NITROANILINO)2OXOETHYL)SULFANYL4PHENYL124TRIAZOL3YL)METHYL)BENZAMIDE
CC1=C(C=C(C=C1)(N+)(=O)(O))NC(=O)CSC2=NN=C(N2C3=CC=CC=C3)CNC(=O)C4=CC=CC=C4F
InChI=1SC25H21FN6O4Sc116111218(32(35)36)1321(16)2823(33)153725302922(31(25)177324817)142724(34)199561020(19)26h213H1415H21H3(H2734)(H2833)
MFCD04375369
O=C(Nc1cc(ccc1C)(N+)(=O)(O))CSc1nnc(n1c1ccccc1)CNC(=O)c1ccccc1F
ZINC000002852671
ZINC02852671
ZINC2852671
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