Vitas-M small molecule compound
N-(2-methoxy-5-methylphenyl)-2-[(4-methyl-5-{[(methylsulfonyl)(phenyl)amino]methyl}-4H-1,2,4-triazol-3-yl)sulfanyl]acetamide
Catalog ID
STL365934
SMILES COc1ccc(cc1NC(=O)CSc1nnc(n1C)CN(S(=O)(=O)C)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 C21H25N5O4S2 MW 475.59 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H25N5O4S2/c1-15-10-11-18(30-3)17(12-15)22-20(27)14-31-21-24-23-19(25(21)2)13-26(32(4,28)29)16-8-6-5-7-9-16/h5-12H,13-14H2,1-4H3,(H,22,27)InChIKey
KBNZSJMJTFRIQR-UHFFFAOYSA-NSynonyms
CC1=CC(=C(C=C1)OC)NC(=O)CSC2=NN=C(N2C)CN(C3=CC=CC=C3)S(=O)(=O)C
InChI=1SC21H25N5O4S2c115101118(303)17(1215)2220(27)143121242319(25(21)2)1326(32(428)29)168657916h512H1314H214H3(H2227)
MFCD14833914
N(2methoxy5methylphenyl)2((4methyl5(((methylsulfonyl)(phenyl)amino)methyl)4H124triazol3yl)sulfanyl)acetamide
N(2methoxy5methylphenyl)2((4methyl5((Nmethylsulfonylanilino)methyl)124triazol3yl)sulfanyl)acetamide
ZINC000015019725
ZINC15019725
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