Vitas-M small molecule compound
N-cyclohexyl-2-[(4-ethyl-5-{[(methylsulfonyl)(phenyl)amino]methyl}-4H-1,2,4-triazol-3-yl)sulfanyl]-N-methylacetamide
Catalog ID
STL366034
SMILES CCn1c(SCC(=O)N(C2CCCCC2)C)nnc1CN(S(=O)(=O)C)c1ccccc1
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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 C21H31N5O3S2 MW 465.64 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H31N5O3S2/c1-4-25-19(15-26(31(3,28)29)18-13-9-6-10-14-18)22-23-21(25)30-16-20(27)24(2)17-11-7-5-8-12-17/h6,9-10,13-14,17H,4-5,7-8,11-12,15-16H2,1-3H3InChIKey
PBTFVZAEFHWAEM-UHFFFAOYSA-NSynonyms
CCN1C(=NN=C1SCC(=O)N(C)C2CCCCC2)CN(C3=CC=CC=C3)S(=O)(=O)C
InChI=1SC21H31N5O3S2c142519(1526(31(328)29)181396101418)222321(25)301620(27)24(2)17117581217h6910131417H457811121516H213H3
MFCD14833898
Ncyclohexyl2((4ethyl5(((methylsulfonyl)(phenyl)amino)methyl)4H124triazol3yl)sulfanyl)Nmethylacetamide
Ncyclohexyl2((4ethyl5((Nmethylsulfonylanilino)methyl)124triazol3yl)sulfanyl)Nmethylacetamide
ZINC000015019840
ZINC15019840
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