Vitas-M small molecule compound
4-[3-(4-fluorophenyl)-5-(quinoxalin-6-yl)-4,5-dihydro-1H-pyrazol-1-yl]-4-oxobutanoic acid
Catalog ID
STK643024
SMILES OC(=O)CCC(=O)N1N=C(CC1c1ccc2c(c1)nccn2)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 C21H17FN4O3 MW 392.39 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H17FN4O3/c22-15-4-1-13(2-5-15)17-12-19(26(25-17)20(27)7-8-21(28)29)14-3-6-16-18(11-14)24-10-9-23-16/h1-6,9-11,19H,7-8,12H2,(H,28,29)InChIKey
MDLWWUUUWLSFOG-UHFFFAOYSA-NSynonyms
949876-55-54(3(4fluorophenyl)5(quinoxalin6yl)45dihydro1Hpyrazol1yl)4oxobutanoicacid
4(5(4fluorophenyl)3quinoxalin6yl34dihydropyrazol2yl)4oxobutanoicacid
949876555
C1C(N(N=C1C2=CC=C(C=C2)F)C(=O)CCC(=O)O)C3=CC4=NC=CN=C4C=C3
InChI=1SC21H17FN4O3c22154113(2515)171219(26(2517)20(27)7821(28)29)14361618(1114)241092316h1691119H7812H2(H2829)
MFCD09983481
ZINC000011692694
ZINC000011692695
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