Vitas-M small molecule compound
2-(5-{[2-(1,3-benzodioxol-5-ylamino)-2-oxoethyl]sulfanyl}-4-ethyl-4H-1,2,4-triazol-3-yl)-N-(2,4-dimethylphenyl)acetamide
Catalog ID
STK219233
SMILES CCn1c(SCC(=O)Nc2ccc3c(c2)OCO3)nnc1CC(=O)Nc1ccc(cc1C)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 C23H25N5O4S MW 467.55 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H25N5O4S/c1-4-28-20(11-21(29)25-17-7-5-14(2)9-15(17)3)26-27-23(28)33-12-22(30)24-16-6-8-18-19(10-16)32-13-31-18/h5-10H,4,11-13H2,1-3H3,(H,24,30)(H,25,29)InChIKey
ZQELDJTYHXRSII-UHFFFAOYSA-NSynonyms
2(5((2(13BENZODIOXOL5YLAMINO)2OXOETHYL)SULFANYL)4ETHYL4H124TRIAZOL3YL)N(24DIMETHYLPHENYL)ACETAMIDE
2(5(2(13BENZODIOXOL5YLAMINO)2OXOETHYL)SULFANYL4ETHYL124TRIAZOL3YL)N(24DIMETHYLPHENYL)ACETAMIDE
2(5(BENZO(13)DIOXOL5YLCARBAMOYLMETHYLSULFANYL)4ETHYL4H(124)TRIAZOL3YL)N(24DIMETHYLPHENYL)ACETAMIDE
CCN1C(=NN=C1SCC(=O)NC2=CC3=C(C=C2)OCO3)CC(=O)NC4=C(C=C(C=C4)C)C
InChI=1SC23H25N5O4Sc142820(1121(29)25177514(2)915(17)3)262723(28)331222(30)2416681819(1016)32133118h510H41113H213H3(H2430)(H2529)
MFCD07399390
ZINC000009302520
ZINC09302520
ZINC9302520
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