Vitas-M small molecule compound
N-(2,6-dimethylphenyl)-2-[(4-ethyl-5-{[(4-fluorophenyl)(methylsulfonyl)amino]methyl}-4H-1,2,4-triazol-3-yl)sulfanyl]acetamide
Catalog ID
STL365644
SMILES CCn1c(SCC(=O)Nc2c(C)cccc2C)nnc1CN(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 C22H26FN5O3S2 MW 491.61 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H26FN5O3S2/c1-5-27-19(13-28(33(4,30)31)18-11-9-17(23)10-12-18)25-26-22(27)32-14-20(29)24-21-15(2)7-6-8-16(21)3/h6-12H,5,13-14H2,1-4H3,(H,24,29)InChIKey
NEMSZDGZCSAEOQ-UHFFFAOYSA-NSynonyms
CCN1C(=NN=C1SCC(=O)NC2=C(C=CC=C2C)C)CN(C3=CC=C(C=C3)F)S(=O)(=O)C
InChI=1SC22H26FN5O3S2c152719(1328(33(430)31)1811917(23)101218)252622(27)321420(29)242115(2)76816(21)3h612H51314H214H3(H2429)
MFCD27591667
N(26dimethylphenyl)2((4ethyl5(((4fluorophenyl)(methylsulfonyl)amino)methyl)4H124triazol3yl)sulfanyl)acetamide
N(26dimethylphenyl)2((4ethyl5((4fluoroNmethylsulfonylanilino)methyl)124triazol3yl)sulfanyl)acetamide
ZINC000020416238
ZINC20416238
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