Vitas-M small molecule compound
N-(3-chloro-4-fluorophenyl)-2-{[4-(4-chlorophenyl)-5-(1,3-dimethyl-1H-pyrazol-4-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
Catalog ID
STK302140
SMILES O=C(Nc1ccc(c(c1)Cl)F)CSc1nnc(n1c1ccc(cc1)Cl)c1cn(nc1C)C
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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 C21H17Cl2FN6OS MW 491.38 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H17Cl2FN6OS/c1-12-16(10-29(2)28-12)20-26-27-21(30(20)15-6-3-13(22)4-7-15)32-11-19(31)25-14-5-8-18(24)17(23)9-14/h3-10H,11H2,1-2H3,(H,25,31)InChIKey
NVPGWBLMOBJXLZ-UHFFFAOYSA-NSynonyms
CC1=NN(C=C1C2=NN=C(N2C3=CC=C(C=C3)Cl)SCC(=O)NC4=CC(=C(C=C4)F)Cl)C
InChI=1SC21H17Cl2FN6OSc11216(1029(2)2812)20262721(30(20)156313(22)4715)321119(31)25145818(24)17(23)914h310H11H212H3(H2531)
MFCD03467247
N(3chloro4fluorophenyl)2((4(4chlorophenyl)5(13dimethyl1Hpyrazol4yl)4H124triazol3yl)sulfanyl)acetamide
N(3CHLORO4FLUOROPHENYL)2((4(4CHLOROPHENYL)5(13DIMETHYLPYRAZOL4YL)124TRIAZOL3YL)SULFANYL)ACETAMIDE
ZINC000000655458
ZINC00655458
ZINC655458
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