Vitas-M small molecule compound

2-(1,3-benzothiazol-2-yl)-1-(4-bromobenzyl)-4-methyl-5-[2-(morpholin-4-yl)ethyl]-1H-pyrazolo[4,3-c]pyridine-3,6(2H,5H)-dione

Catalog ID
STK262462
SMILES Brc1ccc(cc1)Cn1n(c2nc3c(s2)cccc3)c(=O)c2c1cc(=O)n(c2C)CCN1CCOCC1

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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 C27H26BrN5O3S MW 580.51 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H26BrN5O3S/c1-18-25-22(16-24(34)31(18)11-10-30-12-14-36-15-13-30)32(17-19-6-8-20(28)9-7-19)33(26(25)35)27-29-21-4-2-3-5-23(21)37-27/h2-9,16H,10-15,17H2,1H3
InChIKey
RYDRQKFTQARJHP-UHFFFAOYSA-N
Synonyms

2(13BENZOTHIAZOL2YL)1((4BROMOPHENYL)METHYL)4METHYL5(2MORPHOLIN4YLETHYL)PYRAZOLO(43C)PYRIDINE36DIONE
2(13benzothiazol2yl)1(4bromobenzyl)4methyl5(2(morpholin4yl)ethyl)1Hpyrazolo(43c)pyridine36(2H5H)dione
2(BENZO(D)THIAZOL2YL)1(4BROMOBENZYL)4METHYL5(2MORPHOLINOETHYL)12DIHYDRO5HPYRAZOLO(43C)PYRIDINE36DIONE
2BENZOTHIAZOL2YL1((4BROMOPHENYL)METHYL)4METHYL5(2MORPHOLIN4YLETHYL)5HYDRO3PYRAZOLINO(43C)PYRIDINE36DIONE
CC1=C2C(=CC(=O)N1CCN3CCOCC3)N(N(C2=O)C4=NC5=CC=CC=C5S4)CC6=CC=C(C=C6)Br
InChI=1SC27H26BrN5O3Sc1182522(1624(34)31(18)111030121436151330)32(17196820(28)9719)33(26(25)35)272921423523(21)3727h2916H101517H21H3
MFCD07620953
ZINC000097948542
ZINC97948542

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Available files

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