Vitas-M small molecule compound
methyl N-{[1-(4-bromo-2-fluorophenyl)-5-(1H-pyrrol-1-yl)-1H-pyrazol-4-yl]carbonyl}alaninate
Catalog ID
STL156128
SMILES COC(=O)C(NC(=O)c1cnn(c1n1cccc1)c1ccc(cc1F)Br)C
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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 C18H16BrFN4O3 MW 435.25 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H16BrFN4O3/c1-11(18(26)27-2)22-16(25)13-10-21-24(17(13)23-7-3-4-8-23)15-6-5-12(19)9-14(15)20/h3-11H,1-2H3,(H,22,25)InChIKey
TXFBGZJRHWRGMY-UHFFFAOYSA-NSynonyms
(S)methyl2(1(4bromo2fluorophenyl)5(1Hpyrrol1yl)1Hpyrazole4carboxamido)propanoate
CC(C(=O)OC)NC(=O)C1=C(N(N=C1)C2=C(C=C(C=C2)Br)F)N3C=CC=C3
COC(=O)(C@@H)(NC(=O)c1cnn(c1n1cccc1)c1ccc(cc1F)Br)C
InChI=1SC18H16BrFN4O3c111(18(26)272)2216(25)13102124(17(13)23734823)156512(19)914(15)20h311H12H3(H2225)
methyl2((1(4bromo2fluorophenyl)5pyrrol1ylpyrazole4carbonyl)amino)propanoate
methylN((1(4bromo2fluorophenyl)5(1Hpyrrol1yl)1Hpyrazol4yl)carbonyl)alaninate
MFCD20757572
ZINC000049550560
ZINC000071328996
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