Vitas-M small molecule compound
4-[5-(2-chloro-8-methylquinolin-3-yl)-3-(thiophen-2-yl)-4,5-dihydro-1H-pyrazol-1-yl]-4-oxobutanoic acid
Catalog ID
STK543798
SMILES OC(=O)CCC(=O)N1N=C(CC1c1cc2cccc(c2nc1Cl)C)c1cccs1
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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 C21H18ClN3O3S MW 427.91 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H18ClN3O3S/c1-12-4-2-5-13-10-14(21(22)23-20(12)13)16-11-15(17-6-3-9-29-17)24-25(16)18(26)7-8-19(27)28/h2-6,9-10,16H,7-8,11H2,1H3,(H,27,28)InChIKey
FOANBJOTFCVPGN-UHFFFAOYSA-NSynonyms
361480-28-6361480286
4(3(2CHLORO8METHYLQUINOLIN3YL)5THIOPHEN2YL34DIHYDROPYRAZOL2YL)4OXOBUTANOICACID
4(5(2chloro8methylquinolin3yl)3(thiophen2yl)45dihydro1Hpyrazol1yl)4oxobutanoicacid
4(5(2CHLORO8METHYLQUINOLIN3YL)3THIOPHEN2YL45DIHYDRO1HPYRAZOL1YL)4OXOBUTANOICACID
4(5(2CHLORO8METHYLQUINOLIN3YL)3THIOPHEN2YL45DIHYDROPYRAZOL1YL)4OXOBUTYRICACID
CC1=CC=CC2=CC(=C(N=C12)Cl)C3CC(=NN3C(=O)CCC(=O)O)C4=CC=CS4
InChI=1SC21H18ClN3O3Sc112425131014(21(22)2320(12)13)161115(176392917)2425(16)18(26)7819(27)28h2691016H7811H21H3(H2728)
MFCD02999172
ZINC000008830049
ZINC000008830050
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