Vitas-M small molecule compound
2-{[5-{2-[(2-fluorophenyl)amino]-2-oxoethyl}-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(2-methyl-5-nitrophenyl)acetamide
Catalog ID
STK186803
SMILES C=CCn1c(SCC(=O)Nc2cc(ccc2C)[N+](=O)[O-])nnc1CC(=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 C22H21FN6O4S MW 484.51 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H21FN6O4S/c1-3-10-28-19(12-20(30)24-17-7-5-4-6-16(17)23)26-27-22(28)34-13-21(31)25-18-11-15(29(32)33)9-8-14(18)2/h3-9,11H,1,10,12-13H2,2H3,(H,24,30)(H,25,31)InChIKey
PDKMFSQEPATNGL-UHFFFAOYSA-NSynonyms
2((5(2((2FLUOROPHENYL)AMINO)2OXOETHYL)4(PROP2EN1YL)4H124TRIAZOL3YL)SULFANYL)N(2METHYL5NITROPHENYL)ACETAMIDE
C=CCn1c(SCC(=O)Nc2cc(ccc2C)(N+)(=O)(O))nnc1CC(=O)Nc1ccccc1F
CC1=C(C=C(C=C1)(N+)(=O)(O))NC(=O)CSC2=NN=C(N2CC=C)CC(=O)NC3=CC=CC=C3F
InChI=1SC22H21FN6O4Sc13102819(1220(30)2417754616(17)23)262722(28)341321(31)25181115(29(32)33)9814(18)2h3911H1101213H22H3(H2430)(H2531)
MFCD05998980
N(2FLUOROPHENYL)2(5(2(2METHYL5NITROANILINO)2OXOETHYL)SULFANYL4PROP2ENYL124TRIAZOL3YL)ACETAMIDE
ZINC000002867120
ZINC02867120
ZINC2867120
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