Vitas-M small molecule compound
N-(2,4-dimethylphenyl)-2-(4-ethyl-5-{[2-(3-nitrophenyl)-2-oxoethyl]sulfanyl}-4H-1,2,4-triazol-3-yl)acetamide
Catalog ID
STK297350
SMILES CCn1c(nnc1SCC(=O)c1cccc(c1)[N+](=O)[O-])CC(=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 C22H23N5O4S MW 453.52 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H23N5O4S/c1-4-26-20(12-21(29)23-18-9-8-14(2)10-15(18)3)24-25-22(26)32-13-19(28)16-6-5-7-17(11-16)27(30)31/h5-11H,4,12-13H2,1-3H3,(H,23,29)InChIKey
UJYOCXBRUXVPRS-UHFFFAOYSA-NSynonyms
CCN1C(=NN=C1SCC(=O)C2=CC(=CC=C2)(N+)(=O)(O))CC(=O)NC3=C(C=C(C=C3)C)C
CCn1c(nnc1SCC(=O)c1cccc(c1)(N+)(=O)(O))CC(=O)Nc1ccc(cc1C)C
InChI=1SC22H23N5O4Sc142620(1221(29)23189814(2)1015(18)3)242522(26)321319(28)1665717(1116)27(30)31h511H41213H213H3(H2329)
MFCD09960931
N(24dimethylphenyl)2(4ethyl5((2(3nitrophenyl)2oxoethyl)sulfanyl)4H124triazol3yl)acetamide
N(24dimethylphenyl)2(4ethyl5(2(3nitrophenyl)2oxoethyl)sulfanyl124triazol3yl)acetamide
N(24DIMETHYLPHENYL)2(4ETHYL5(2(3NITROPHENYL)2OXOETHYLSULFANYL)4H(124)TRIAZOL3YL)ACETAMIDE
ZINC000013956298
ZINC13956298
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