Vitas-M small molecule compound
2-[(5-benzyl-4-ethyl-4H-1,2,4-triazol-3-yl)sulfanyl]-1-[1-(2-methoxyethyl)-2,5-dimethyl-1H-pyrrol-3-yl]ethanone
Catalog ID
STK804243
SMILES COCCn1c(C)cc(c1C)C(=O)CSc1nnc(n1CC)Cc1ccccc1
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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 C22H28N4O2S MW 412.56 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H28N4O2S/c1-5-25-21(14-18-9-7-6-8-10-18)23-24-22(25)29-15-20(27)19-13-16(2)26(17(19)3)11-12-28-4/h6-10,13H,5,11-12,14-15H2,1-4H3InChIKey
LQLUOPQVMVPLNJ-UHFFFAOYSA-NSynonyms
938019-66-02((5BENZYL4ETHYL124TRIAZOL3YL)SULFANYL)1(1(2METHOXYETHYL)25DIMETHYLPYRROL3YL)ETHANONE
2((5benzyl4ethyl4H124triazol3yl)sulfanyl)1(1(2methoxyethyl)25dimethyl1Hpyrrol3yl)ethanone
2((5benzyl4ethyl4H124triazol3yl)thio)1(1(2methoxyethyl)25dimethyl1Hpyrrol3yl)ethanone
938019660
CCN1C(=NN=C1SCC(=O)C2=C(N(C(=C2)C)CCOC)C)CC3=CC=CC=C3
InChI=1SC22H28N4O2Sc152521(141897681018)232422(25)291520(27)191316(2)26(17(19)3)1112284h61013H511121415H214H3
MFCD09156283
ZINC000005430191
ZINC05430191
ZINC5430191
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