Vitas-M small molecule compound
methyl N-{[1-(4-fluorophenyl)-5-(1H-pyrrol-1-yl)-1H-pyrazol-4-yl]carbonyl}methioninate
Catalog ID
STL162483
SMILES CSCCC(C(=O)OC)NC(=O)c1cnn(c1n1cccc1)c1ccc(cc1)F
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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 C20H21FN4O3S MW 416.48 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H21FN4O3S/c1-28-20(27)17(9-12-29-2)23-18(26)16-13-22-25(15-7-5-14(21)6-8-15)19(16)24-10-3-4-11-24/h3-8,10-11,13,17H,9,12H2,1-2H3,(H,23,26)InChIKey
UYVGFQDAJKDGJC-UHFFFAOYSA-NSynonyms
(S)methyl2(1(4fluorophenyl)5(1Hpyrrol1yl)1Hpyrazole4carboxamido)4(methylthio)butanoate
COC(=O)C(CCSC)NC(=O)C1=C(N(N=C1)C2=CC=C(C=C2)F)N3C=CC=C3
CSCC(C@@H)(C(=O)OC)NC(=O)c1cnn(c1n1cccc1)c1ccc(cc1)F
InChI=1SC20H21FN4O3Sc12820(27)17(912292)2318(26)16132225(157514(21)6815)19(16)2410341124h3810111317H912H212H3(H2326)
methyl2((1(4fluorophenyl)5pyrrol1ylpyrazole4carbonyl)amino)4methylsulfanylbutanoate
methylN((1(4fluorophenyl)5(1Hpyrrol1yl)1Hpyrazol4yl)carbonyl)methioninate
MFCD20759697
ZINC000049549654
ZINC000071335444
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