Vitas-M small molecule compound
N-(4-fluorophenyl)-2-(4-methyl-5-{[1-(4-oxo-3,4-dihydroquinazolin-2-yl)ethyl]sulfanyl}-4H-1,2,4-triazol-3-yl)acetamide
Catalog ID
STK497747
SMILES O=C(Cc1nnc(n1C)SC(c1nc2ccccc2c(=O)[nH]1)C)Nc1ccc(cc1)F
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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 C21H19FN6O2S MW 438.49 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H19FN6O2S/c1-12(19-24-16-6-4-3-5-15(16)20(30)25-19)31-21-27-26-17(28(21)2)11-18(29)23-14-9-7-13(22)8-10-14/h3-10,12H,11H2,1-2H3,(H,23,29)(H,24,25,30)InChIKey
ZRYVZISXUGCQQX-UHFFFAOYSA-NSynonyms
CC(C1=NC(=O)C2=CC=CC=C2N1)SC3=NN=C(N3C)CC(=O)NC4=CC=C(C=C4)F
InChI=1SC21H19FN6O2Sc112(192416643515(16)20(30)2519)3121272617(28(21)2)1118(29)23149713(22)81014h31012H11H212H3(H2329)(H242530)
MFCD11855088
N(4fluorophenyl)2(4methyl5((1(4oxo34dihydroquinazolin2yl)ethyl)sulfanyl)4H124triazol3yl)acetamide
N(4fluorophenyl)2(4methyl5(1(4oxo1Hquinazolin2yl)ethylsulfanyl)124triazol3yl)acetamide
O=C(Cc1nnc(n1C)SC(c1nc2ccccc2c(=O)(nH)1)C)Nc1ccc(cc1)F
ZINC000008785368
ZINC000008785369
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