Vitas-M small molecule compound
2-{2-[(3S)-3-carbamoyl-6,7-dimethoxy-3,4-dihydroisoquinolin-2(1H)-yl]-2-oxoethyl}benzoic acid
Catalog ID
STL565906
SMILES COc1cc2C[C@@H](C(=O)N)N(Cc2cc1OC)C(=O)Cc1ccccc1C(=O)O
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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 C21H22N2O6 MW 398.42 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H22N2O6/c1-28-17-8-13-7-16(20(22)25)23(11-14(13)9-18(17)29-2)19(24)10-12-5-3-4-6-15(12)21(26)27/h3-6,8-9,16H,7,10-11H2,1-2H3,(H2,22,25)(H,26,27)/t16-/m0/s1InChIKey
QBIZAJLYWQRMOL-INIZCTEOSA-NSynonyms
1351707-45-3(S)2(2(3CARBAMOYL67DIMETHOXY34DIHYDROISOQUINOLIN2(1H)YL)2OXOETHYL)BENZOICACID
1351707453
2(2((3S)3carbamoyl67dimethoxy34dihydro1Hisoquinolin2yl)2oxoethyl)benzoicacid
2(2((3S)3carbamoyl67dimethoxy34dihydroisoquinolin2(1H)yl)2oxoethyl)benzoicacid
71753358
COc1cc2C(C@@H)(C(=O)N)N(Cc2cc1OC)C(=O)Cc1ccccc1C(=O)O
InChI=1SC21H22N2O6c12817813716(20(22)25)23(1114(13)918(17)292)19(24)1012534615(12)21(26)27h368916H71011H212H3(H22225)(H2627)t16m0s1
MFCD32651760
ZINC000072324475
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