Vitas-M small molecule compound
N-(2-cyanophenyl)-2-[(5-{[(4-fluorophenyl)(methylsulfonyl)amino]methyl}-4-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]acetamide
Catalog ID
STL365693
SMILES N#Cc1ccccc1NC(=O)CSc1nnc(n1C)CN(S(=O)(=O)C)c1ccc(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 C20H19FN6O3S2 MW 474.54 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H19FN6O3S2/c1-26-18(12-27(32(2,29)30)16-9-7-15(21)8-10-16)24-25-20(26)31-13-19(28)23-17-6-4-3-5-14(17)11-22/h3-10H,12-13H2,1-2H3,(H,23,28)InChIKey
YFJAYKUQSYOVNB-UHFFFAOYSA-NSynonyms
CN1C(=NN=C1SCC(=O)NC2=CC=CC=C2C#N)CN(C3=CC=C(C=C3)F)S(=O)(=O)C
InChI=1SC20H19FN6O3S2c12618(1227(32(229)30)169715(21)81016)242520(26)311319(28)2317643514(17)1122h310H1213H212H3(H2328)
MFCD14833731
N(2cyanophenyl)2((5(((4fluorophenyl)(methylsulfonyl)amino)methyl)4methyl4H124triazol3yl)sulfanyl)acetamide
N(2cyanophenyl)2((5((4fluoroNmethylsulfonylanilino)methyl)4methyl124triazol3yl)sulfanyl)acetamide
ZINC000020416339
ZINC20416339
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