Vitas-M small molecule compound
N-[1-(4-ethyl-5-{[2-(4-fluorophenyl)-2-oxoethyl]sulfanyl}-4H-1,2,4-triazol-3-yl)ethyl]benzamide
Catalog ID
STK497565
SMILES CCn1c(SCC(=O)c2ccc(cc2)F)nnc1C(NC(=O)c1ccccc1)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 C21H21FN4O2S MW 412.49 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H21FN4O2S/c1-3-26-19(14(2)23-20(28)16-7-5-4-6-8-16)24-25-21(26)29-13-18(27)15-9-11-17(22)12-10-15/h4-12,14H,3,13H2,1-2H3,(H,23,28)InChIKey
UPCQCGNSBWZNPC-UHFFFAOYSA-NSynonyms
CCN1C(=NN=C1SCC(=O)C2=CC=C(C=C2)F)C(C)NC(=O)C3=CC=CC=C3
InChI=1SC21H21FN4O2Sc132619(14(2)2320(28)167546816)242521(26)291318(27)1591117(22)121015h41214H313H212H3(H2328)
MFCD11854953
N(1(4ethyl5((2(4fluorophenyl)2oxoethyl)sulfanyl)4H124triazol3yl)ethyl)benzamide
N(1(4ethyl5(2(4fluorophenyl)2oxoethyl)sulfanyl124triazol3yl)ethyl)benzamide
ZINC000032579309
ZINC000032579310
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