Vitas-M small molecule compound
ethyl 1-[(3-bromo-4-methoxyphenyl)carbonyl]-3-cyano-2-[4-(dimethylamino)phenyl]-1,2,3,3a-tetrahydropyrrolo[1,2-a]quinoline-3-carboxylate
Catalog ID
STL408346
SMILES CCOC(=O)C1(C#N)C(c2ccc(cc2)N(C)C)C(N2C1C=Cc1c2cccc1)C(=O)c1ccc(c(c1)Br)OC
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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 C32H30BrN3O4 MW 600.51 g/mol Purity >90% as per NMR
InChI
InChI=1S/C32H30BrN3O4/c1-5-40-31(38)32(19-34)27-17-13-20-8-6-7-9-25(20)36(27)29(28(32)21-10-14-23(15-11-21)35(2)3)30(37)22-12-16-26(39-4)24(33)18-22/h6-18,27-29H,5H2,1-4H3InChIKey
QKQNOFCJKOGRRS-UHFFFAOYSA-NSynonyms
(1R2R3S3aS)ethyl1(3bromo4methoxybenzoyl)3cyano2(4(dimethylamino)phenyl)1233atetrahydropyrrolo(12a)quinoline3carboxylate
CCOC(=O)(C@@)1(C#N)(C@@H)(c2ccc(cc2)N(C)C)(C@@H)(N2(C@H)1C=Cc1c2cccc1)C(=O)c1ccc(c(c1)Br)OC
CCOC(=O)C1(C2C=CC3=CC=CC=C3N2C(C1C4=CC=C(C=C4)N(C)C)C(=O)C5=CC(=C(C=C5)OC)Br)C#N
ethyl1((3bromo4methoxyphenyl)carbonyl)3cyano2(4(dimethylamino)phenyl)1233atetrahydropyrrolo(12a)quinoline3carboxylate
ethyl1(3bromo4methoxybenzoyl)3cyano2(4(dimethylamino)phenyl)23adihydro1Hpyrrolo(12a)quinoline3carboxylate
ETHYL1(3BROMO4METHOXYBENZOYL)3CYANO2(4DIMETHYLAMINOPHENYL)23ADIHYDRO1HPYRROLO(12A)QUINOLINE3CARBOXYLATE
InChI=1SC32H30BrN3O4c154031(38)32(1934)27171320867925(20)36(27)29(28(32)21101423(151121)35(2)3)30(37)22121626(394)24(33)1822h6182729H5H214H3
MFCD04079315
ZINC000225218958
ZINC000248063171
Check stock
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