Vitas-M small molecule compound
ethyl (1S,3S,3aR)-1-[(4-chlorophenyl)carbonyl]-1,2,3,3a-tetrahydropyrrolo[1,2-a]quinoline-3-carboxylate
Catalog ID
STK544907
SMILES CCOC(=O)[C@H]1C[C@H](N2[C@@H]1C=Cc1c2cccc1)C(=O)c1ccc(cc1)Cl
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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 C22H20ClNO3 MW 381.86 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H20ClNO3/c1-2-27-22(26)17-13-20(21(25)15-7-10-16(23)11-8-15)24-18-6-4-3-5-14(18)9-12-19(17)24/h3-12,17,19-20H,2,13H2,1H3/t17-,19+,20-/m0/s1InChIKey
BBGIDLLCDPNALF-SXLOBPIMSA-NSynonyms
1212462-41-3(1S3S3aR)ethyl1(4chlorobenzoyl)1233atetrahydropyrrolo(12a)quinoline3carboxylate
1212462413
CCOC(=O)(C@H)1C(C@H)(N2(C@@H)1C=Cc1c2cccc1)C(=O)c1ccc(cc1)Cl
CCOC(=O)C1CC(N2C1C=CC3=CC=CC=C32)C(=O)C4=CC=C(C=C4)Cl
ethyl(1S3S3aR)1((4chlorophenyl)carbonyl)1233atetrahydropyrrolo(12a)quinoline3carboxylate
ethyl(1S3S3aR)1(4chlorobenzoyl)1233atetrahydropyrrolo(12a)quinoline3carboxylate
InChI=1SC22H20ClNO3c122722(26)171320(21(25)1571016(23)11815)2418643514(18)91219(17)24h312171920H213H21H3t1719+20m0s1
MFCD18242185
ZINC000004908425
ZINC04908425
ZINC4908425
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