Vitas-M small molecule compound
ethyl 4-{[1-(3,5-difluorophenyl)-5-(1H-pyrrol-1-yl)-1H-pyrazol-4-yl]carbonyl}piperazine-1-carboxylate
Catalog ID
STL157400
SMILES CCOC(=O)N1CCN(CC1)C(=O)c1cnn(c1n1cccc1)c1cc(F)cc(c1)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 C21H21F2N5O3 MW 429.43 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H21F2N5O3/c1-2-31-21(30)27-9-7-26(8-10-27)20(29)18-14-24-28(19(18)25-5-3-4-6-25)17-12-15(22)11-16(23)13-17/h3-6,11-14H,2,7-10H2,1H3InChIKey
LXWACLMYWPVXPT-UHFFFAOYSA-NSynonyms
1246051-78-41246051784
CCOC(=O)N1CCN(CC1)C(=O)C2=C(N(N=C2)C3=CC(=CC(=C3)F)F)N4C=CC=C4
ethyl4((1(35difluorophenyl)5(1Hpyrrol1yl)1Hpyrazol4yl)carbonyl)piperazine1carboxylate
ethyl4(1(35difluorophenyl)5(1Hpyrrol1yl)1Hpyrazole4carbonyl)piperazine1carboxylate
ethyl4(1(35difluorophenyl)5pyrrol1ylpyrazole4carbonyl)piperazine1carboxylate
InChI=1SC21H21F2N5O3c123121(30)279726(81027)20(29)18142428(19(18)25534625)171215(22)1116(23)1317h361114H2710H21H3
MFCD18070055
ZINC000049550420
ZINC49550420
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