Vitas-M small molecule compound
N-(3-chloro-4-fluorophenyl)-2-(4-methyl-5-{[(4-oxo-3,4-dihydroquinazolin-2-yl)methyl]sulfanyl}-4H-1,2,4-triazol-3-yl)acetamide
Catalog ID
STL122494
SMILES O=C(Cc1nnc(n1C)SCc1nc2ccccc2c(=O)[nH]1)Nc1ccc(c(c1)Cl)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 C20H16ClFN6O2S MW 458.90 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H16ClFN6O2S/c1-28-17(9-18(29)23-11-6-7-14(22)13(21)8-11)26-27-20(28)31-10-16-24-15-5-3-2-4-12(15)19(30)25-16/h2-8H,9-10H2,1H3,(H,23,29)(H,24,25,30)InChIKey
CIBCIYIULXFXHR-UHFFFAOYSA-NSynonyms
CN1C(=NN=C1SCC2=NC(=O)C3=CC=CC=C3N2)CC(=O)NC4=CC(=C(C=C4)F)Cl
InChI=1SC20H16ClFN6O2Sc12817(918(29)23116714(22)13(21)811)262720(28)3110162415532412(15)19(30)2516h28H910H21H3(H2329)(H242530)
MFCD18434648
N(3chloro4fluorophenyl)2(4methyl5(((4oxo34dihydroquinazolin2yl)methyl)sulfanyl)4H124triazol3yl)acetamide
N(3chloro4fluorophenyl)2(4methyl5((4oxo1Hquinazolin2yl)methylsulfanyl)124triazol3yl)acetamide
O=C(Cc1nnc(n1C)SCc1nc2ccccc2c(=O)(nH)1)Nc1ccc(c(c1)Cl)F
ZINC000009030962
ZINC09030962
ZINC9030962
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