Vitas-M small molecule compound
1-[1-(4-fluorophenyl)-2,5-dimethyl-1H-pyrrol-3-yl]-2-{[4-methyl-5-(morpholin-4-ylmethyl)-4H-1,2,4-triazol-3-yl]sulfanyl}ethanone
Catalog ID
STK261308
SMILES Fc1ccc(cc1)n1c(C)cc(c1C)C(=O)CSc1nnc(n1C)CN1CCOCC1
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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 C22H26FN5O2S MW 443.55 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H26FN5O2S/c1-15-12-19(16(2)28(15)18-6-4-17(23)5-7-18)20(29)14-31-22-25-24-21(26(22)3)13-27-8-10-30-11-9-27/h4-7,12H,8-11,13-14H2,1-3H3InChIKey
GSONSKWASFWBKB-UHFFFAOYSA-NSynonyms
1(1(4fluorophenyl)25dimethyl1Hpyrrol3yl)2((4methyl5(morpholin4ylmethyl)4H124triazol3yl)sulfanyl)ethanone
1(1(4FLUOROPHENYL)25DIMETHYLPYRROL3YL)2((4METHYL5(MORPHOLIN4YLMETHYL)124TRIAZOL3YL)SULFANYL)ETHANONE
CC1=CC(=C(N1C2=CC=C(C=C2)F)C)C(=O)CSC3=NN=C(N3C)CN4CCOCC4
InChI=1SC22H26FN5O2Sc1151219(16(2)28(15)186417(23)5718)20(29)143122252421(26(22)3)13278103011927h4712H8111314H213H3
MFCD07791984
ZINC000019799727
ZINC19799727
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