Vitas-M small molecule compound
6,7-dimethoxy-2-[(4-oxoquinazolin-3(4H)-yl)acetyl]-1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid
Catalog ID
STL461215
SMILES COc1cc2CN(C(=O)Cn3cnc4c(c3=O)cccc4)C(Cc2cc1OC)C(=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 C22H21N3O6 MW 423.43 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H21N3O6/c1-30-18-8-13-7-17(22(28)29)25(10-14(13)9-19(18)31-2)20(26)11-24-12-23-16-6-4-3-5-15(16)21(24)27/h3-6,8-9,12,17H,7,10-11H2,1-2H3,(H,28,29)InChIKey
YUJLMCHFNLVFDG-UHFFFAOYSA-NSynonyms
(S)67dimethoxy2(2(4oxoquinazolin3(4H)yl)acetyl)1234tetrahydroisoquinoline3carboxylicacid
67dimethoxy2((4oxoquinazolin3(4H)yl)acetyl)1234tetrahydroisoquinoline3carboxylicacid
67dimethoxy2(2(4oxoquinazolin3yl)acetyl)34dihydro1Hisoquinoline3carboxylicacid
COC1=C(C=C2CN(C(CC2=C1)C(=O)O)C(=O)CN3C=NC4=CC=CC=C4C3=O)OC
COc1cc2CN(C(=O)Cn3cnc4c(c3=O)cccc4)(C@@H)(Cc2cc1OC)C(=O)O
InChI=1SC22H21N3O6c13018813717(22(28)29)25(1014(13)919(18)312)20(26)1124122316643515(16)21(24)27h36891217H71011H212H3(H2829)
MFCD12925872
ZINC000012895176
ZINC000020426244
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