Vitas-M small molecule compound
2-[(4-ethyl-5-phenyl-4H-1,2,4-triazol-3-yl)sulfanyl]-1-[1-(2-methoxyethyl)-2,5-dimethyl-1H-pyrrol-3-yl]ethanone
Catalog ID
STL364949
SMILES COCCn1c(C)cc(c1C)C(=O)CSc1nnc(n1CC)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 C21H26N4O2S MW 398.53 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H26N4O2S/c1-5-24-20(17-9-7-6-8-10-17)22-23-21(24)28-14-19(26)18-13-15(2)25(16(18)3)11-12-27-4/h6-10,13H,5,11-12,14H2,1-4H3InChIKey
LLIMCUMPIRNFBQ-UHFFFAOYSA-NSynonyms
2((4ETHYL5PHENYL124TRIAZOL3YL)SULFANYL)1(1(2METHOXYETHYL)25DIMETHYLPYRROL3YL)ETHANONE
2((4ethyl5phenyl4H124triazol3yl)sulfanyl)1(1(2methoxyethyl)25dimethyl1Hpyrrol3yl)ethanone
CCN1C(=NN=C1SCC(=O)C2=C(N(C(=C2)C)CCOC)C)C3=CC=CC=C3
InChI=1SC21H26N4O2Sc152420(1797681017)222321(24)281419(26)181315(2)25(16(18)3)1112274h61013H5111214H214H3
MFCD04761379
ZINC000005311636
ZINC05311636
ZINC5311636
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