Vitas-M small molecule compound
2-{[4-ethyl-5-(pyridin-4-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-1-[1-(2-methoxyethyl)-2,5-dimethyl-1H-pyrrol-3-yl]ethanone
Catalog ID
STK804257
SMILES COCCn1c(C)cc(c1C)C(=O)CSc1nnc(n1CC)c1ccncc1
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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 C20H25N5O2S MW 399.52 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H25N5O2S/c1-5-24-19(16-6-8-21-9-7-16)22-23-20(24)28-13-18(26)17-12-14(2)25(15(17)3)10-11-27-4/h6-9,12H,5,10-11,13H2,1-4H3InChIKey
DJDWWALCZUYCIO-UHFFFAOYSA-NSynonyms
925112-92-12((4ethyl5(pyridin4yl)4H124triazol3yl)sulfanyl)1(1(2methoxyethyl)25dimethyl1Hpyrrol3yl)ethanone
2((4ethyl5(pyridin4yl)4H124triazol3yl)thio)1(1(2methoxyethyl)25dimethyl1Hpyrrol3yl)ethanone
2((4ETHYL5PYRIDIN4YL124TRIAZOL3YL)SULFANYL)1(1(2METHOXYETHYL)25DIMETHYLPYRROL3YL)ETHANONE
925112921
CCN1C(=NN=C1SCC(=O)C2=C(N(C(=C2)C)CCOC)C)C3=CC=NC=C3
InChI=1SC20H25N5O2Sc152419(1668219716)222320(24)281318(26)171214(2)25(15(17)3)1011274h6912H5101113H214H3
MFCD09156458
ZINC000005822601
ZINC05822601
ZINC5822601
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