Vitas-M small molecule compound
N-{[5-({2-[(2,5-dimethylphenyl)amino]-2-oxoethyl}sulfanyl)-4-ethyl-4H-1,2,4-triazol-3-yl]methyl}-1,3-benzodioxole-5-carboxamide
Catalog ID
STK118924
SMILES CCn1c(CNC(=O)c2ccc3c(c2)OCO3)nnc1SCC(=O)Nc1cc(C)ccc1C
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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 C23H25N5O4S MW 467.55 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H25N5O4S/c1-4-28-20(11-24-22(30)16-7-8-18-19(10-16)32-13-31-18)26-27-23(28)33-12-21(29)25-17-9-14(2)5-6-15(17)3/h5-10H,4,11-13H2,1-3H3,(H,24,30)(H,25,29)InChIKey
XIUALJZLGZFZGH-UHFFFAOYSA-NSynonyms
CCN1C(=NN=C1SCC(=O)NC2=C(C=CC(=C2)C)C)CNC(=O)C3=CC4=C(C=C3)OCO4
InChI=1SC23H25N5O4Sc142820(112422(30)16781819(1016)32133118)262723(28)331221(29)2517914(2)5615(17)3h510H41113H213H3(H2430)(H2529)
MFCD04091001
N((5((2((25DIMETHYLPHENYL)AMINO)2OXOETHYL)SULFANYL)4ETHYL4H124TRIAZOL3YL)METHYL)13BENZODIOXOLE5CARBOXAMIDE
N((5((2(25DIMETHYLANILINO)2OXOETHYL)SULFANYL)4ETHYL4H124TRIAZOL3YL)METHYL)13BENZODIOXOLE5CARBOXAMIDE
N((5(2(25DIMETHYLANILINO)2OXOETHYL)SULFANYL4ETHYL124TRIAZOL3YL)METHYL)13BENZODIOXOLE5CARBOXAMIDE
ZINC000008400823
ZINC08400823
ZINC8400823
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