Vitas-M small molecule compound
4-[(2R,4S)-2-methyl-4-(phenylamino)-3,4-dihydroquinolin-1(2H)-yl]-4-oxobutanoic acid
Catalog ID
STK020462
SMILES OC(=O)CCC(=O)N1[C@H](C)C[C@@H](c2c1cccc2)Nc1ccccc1
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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 C20H22N2O3 MW 338.41 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H22N2O3/c1-14-13-17(21-15-7-3-2-4-8-15)16-9-5-6-10-18(16)22(14)19(23)11-12-20(24)25/h2-10,14,17,21H,11-13H2,1H3,(H,24,25)/t14-,17+/m1/s1InChIKey
STNRBABUYVLMIL-PBHICJAKSA-NSynonyms
4((2R4S)2METHYL4(PHENYLAMINO)34DIHYDROQUINOLIN1(2H)YL)4OXOBUTANOICACID
4((2R4S)4ANILINO2METHYL34DIHYDRO2HQUINOLIN1YL)4OXOBUTANOICACID
CC1CC(C2=CC=CC=C2N1C(=O)CCC(=O)O)NC3=CC=CC=C3
InChI=1SC20H22N2O3c1141317(21157324815)169561018(16)22(14)19(23)111220(24)25h210141721H1113H21H3(H2425)t1417+m1s1
MFCD13368292
OC(=O)CCC(=O)N1(C@H)(C)C(C@@H)(c2c1cccc2)Nc1ccccc1
STK020462
ZINC000004561467
ZINC4561467
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