VITAS-M Laboratory logo VITAS‑M Laboratory COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION
Vitas-M small molecule compound

methyl (1R,2R,3S,3aS)-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
STK548042
SMILES COC(=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

Contact us by email for worldwide delivery information, pricing, and real‑time availability. Send us your quotation request, and we will confirm stock levels, provide exact costs and lead times, suggest alternatives or find analogs when helpful, and share any additional specifications you may need.

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 C31H28BrN3O4 MW 586.49 g/mol Purity >90% as per NMR
InChI
InChI=1S/C31H28BrN3O4/c1-34(2)22-13-9-20(10-14-22)27-28(29(36)21-11-15-25(38-3)23(32)17-21)35-24-8-6-5-7-19(24)12-16-26(35)31(27,18-33)30(37)39-4/h5-17,26-28H,1-4H3/t26-,27-,28+,31+/m0/s1
InChIKey
GYNDNZJMZCWAOM-KJLZTZQRSA-N
Synonyms

(1R2R3S3aS)methyl1(3bromo4methoxybenzoyl)3cyano2(4(dimethylamino)phenyl)1233atetrahydropyrrolo(12a)quinoline3carboxylate
CN(C)C1=CC=C(C=C1)C2C(N3C(C2(C#N)C(=O)OC)C=CC4=CC=CC=C43)C(=O)C5=CC(=C(C=C5)OC)Br
COC(=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
InChI=1SC31H28BrN3O4c134(2)2213920(101422)2728(29(36)21111525(383)23(32)1721)3524865719(24)121626(35)31(271833)30(37)394h5172628H14H3t262728+31+m0s1
methyl(1R2R3S3aS)1((3bromo4methoxyphenyl)carbonyl)3cyano2(4(dimethylamino)phenyl)1233atetrahydropyrrolo(12a)quinoline3carboxylate
methyl(1R2R3S3aS)1(3bromo4methoxybenzoyl)3cyano2(4(dimethylamino)phenyl)23adihydro1Hpyrrolo(12a)quinoline3carboxylate
MFCD18242393
ZINC000102449593
ZINC102449593

Check stock

See real-time availability and sample size for STK548042 on the Vitas-M platform.

Check stock on Vitas-M

Available files

Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.

Download SDF Download MOL 3D structure Download SDS