Vitas-M small molecule compound
N-(4-acetylphenyl)-2-[(5-{[(4-fluorophenyl)(methylsulfonyl)amino]methyl}-4-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]acetamide
Catalog ID
STL415741
SMILES O=C(Nc1ccc(cc1)C(=O)C)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 C21H22FN5O4S2 MW 491.57 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H22FN5O4S2/c1-14(28)15-4-8-17(9-5-15)23-20(29)13-32-21-25-24-19(26(21)2)12-27(33(3,30)31)18-10-6-16(22)7-11-18/h4-11H,12-13H2,1-3H3,(H,23,29)InChIKey
XWPHXPOQOBVZHR-UHFFFAOYSA-NSynonyms
CC(=O)C1=CC=C(C=C1)NC(=O)CSC2=NN=C(N2C)CN(C3=CC=C(C=C3)F)S(=O)(=O)C
InChI=1SC21H22FN5O4S2c114(28)154817(9515)2320(29)133221252419(26(21)2)1227(33(330)31)1810616(22)71118h411H1213H213H3(H2329)
MFCD14833386
N(4acetylphenyl)2((5(((4fluorophenyl)(methylsulfonyl)amino)methyl)4methyl4H124triazol3yl)sulfanyl)acetamide
N(4acetylphenyl)2((5((4fluoroNmethylsulfonylanilino)methyl)4methyl124triazol3yl)sulfanyl)acetamide
ZINC000020193826
ZINC20193826
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