Vitas-M small molecule compound

{4-[(3,4-dimethoxyphenyl)sulfonyl]piperazin-1-yl}[6,8-dimethyl-2-(pyridin-3-yl)quinolin-4-yl]methanone

Catalog ID
STK461874
SMILES COc1ccc(cc1OC)S(=O)(=O)N1CCN(CC1)C(=O)c1cc(nc2c1cc(C)cc2C)c1cccnc1

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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 C29H30N4O5S MW 546.65 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H30N4O5S/c1-19-14-20(2)28-23(15-19)24(17-25(31-28)21-6-5-9-30-18-21)29(34)32-10-12-33(13-11-32)39(35,36)22-7-8-26(37-3)27(16-22)38-4/h5-9,14-18H,10-13H2,1-4H3
InChIKey
XXBUUVIMOVCPBK-UHFFFAOYSA-N
Synonyms

(4((34dimethoxyphenyl)sulfonyl)piperazin1yl)(68dimethyl2(pyridin3yl)quinolin4yl)methanone
(4(34DIMETHOXYPHENYL)SULFONYLPIPERAZIN1YL)(68DIMETHYL2PYRIDIN3YLQUINOLIN4YL)METHANONE
4((34DIMETHOXYPHENYL)SULFONYL)PIPERAZINYL68DIMETHYL2(3PYRIDYL)(4QUINOLYL)KETONE
CC1=CC(=C2C(=C1)C(=CC(=N2)C3=CN=CC=C3)C(=O)N4CCN(CC4)S(=O)(=O)C5=CC(=C(C=C5)OC)OC)C
InChI=1SC29H30N4O5Sc1191420(2)2823(1519)24(1725(3128)21659301821)29(34)32101233(131132)39(3536)227826(373)27(1622)384h591418H1013H214H3
MFCD05999874
ZINC000001073788
ZINC1073788

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Available files

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