Vitas-M small molecule compound
methyl N-{[1-(2-chloro-5-fluorophenyl)-5-(1H-pyrrol-1-yl)-1H-pyrazol-4-yl]carbonyl}-beta-alaninate
Catalog ID
STL156578
SMILES COC(=O)CCNC(=O)c1cnn(c1n1cccc1)c1cc(F)ccc1Cl
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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 C18H16ClFN4O3 MW 390.80 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H16ClFN4O3/c1-27-16(25)6-7-21-17(26)13-11-22-24(18(13)23-8-2-3-9-23)15-10-12(20)4-5-14(15)19/h2-5,8-11H,6-7H2,1H3,(H,21,26)InChIKey
JJFIFJXQRVGIFU-UHFFFAOYSA-NSynonyms
1246052-66-31246052663
COC(=O)CCNC(=O)C1=C(N(N=C1)C2=C(C=CC(=C2)F)Cl)N3C=CC=C3
InChI=1SC18H16ClFN4O3c12716(25)672117(26)13112224(18(13)23823923)151012(20)4514(15)19h25811H67H21H3(H2126)
methyl3((1(2chloro5fluorophenyl)5pyrrol1ylpyrazole4carbonyl)amino)propanoate
methyl3(1(2chloro5fluorophenyl)5(1Hpyrrol1yl)1Hpyrazole4carboxamido)propanoate
methylN((1(2chloro5fluorophenyl)5(1Hpyrrol1yl)1Hpyrazol4yl)carbonyl)betaalaninate
MFCD18070482
ZINC000049551281
ZINC49551281
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