Vitas-M small molecule compound
N-[2-(difluoromethoxy)phenyl]-2-{[5-(1-methyl-1H-pyrazol-4-yl)-4-(tetrahydrofuran-2-ylmethyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
Catalog ID
STK307619
SMILES O=C(Nc1ccccc1OC(F)F)CSc1nnc(n1CC1CCCO1)c1cnn(c1)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 C20H22F2N6O3S MW 464.50 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H22F2N6O3S/c1-27-10-13(9-23-27)18-25-26-20(28(18)11-14-5-4-8-30-14)32-12-17(29)24-15-6-2-3-7-16(15)31-19(21)22/h2-3,6-7,9-10,14,19H,4-5,8,11-12H2,1H3,(H,24,29)InChIKey
KKWSGYAZBKIJAK-UHFFFAOYSA-NSynonyms
1005564-90-81005564908
CN1C=C(C=N1)C2=NN=C(N2CC3CCCO3)SCC(=O)NC4=CC=CC=C4OC(F)F
InChI=1SC20H22F2N6O3Sc1271013(92327)18252620(28(18)11145483014)321217(29)2415623716(15)3119(21)22h23679101419H4581112H21H3(H2429)
MFCD04130963
N(2(difluoromethoxy)phenyl)2((5(1methyl1Hpyrazol4yl)4(tetrahydrofuran2ylmethyl)4H124triazol3yl)sulfanyl)acetamide
N(2(difluoromethoxy)phenyl)2((5(1methylpyrazol4yl)4(oxolan2ylmethyl)124triazol3yl)sulfanyl)acetamide
ZINC000002794077
ZINC000002794078
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