Vitas-M small molecule compound

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

Catalog ID
STK262454
SMILES Cc1ccc(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 C28H29N5O3S MW 515.64 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H29N5O3S/c1-19-7-9-21(10-8-19)18-32-23-17-25(34)31(12-11-30-13-15-36-16-14-30)20(2)26(23)27(35)33(32)28-29-22-5-3-4-6-24(22)37-28/h3-10,17H,11-16,18H2,1-2H3
InChIKey
YZNYJXVXPJCYCY-UHFFFAOYSA-N
Synonyms

2(13BENZOTHIAZOL2YL)4METHYL1((4METHYLPHENYL)METHYL)5(2MORPHOLIN4YLETHYL)PYRAZOLO(43C)PYRIDINE36DIONE
2(13benzothiazol2yl)4methyl1(4methylbenzyl)5(2(morpholin4yl)ethyl)1Hpyrazolo(43c)pyridine36(2H5H)dione
2(BENZO(D)THIAZOL2YL)4METHYL1(4METHYLBENZYL)5(2MORPHOLINOETHYL)12DIHYDRO5HPYRAZOLO(43C)PYRIDINE36DIONE
2BENZOTHIAZOL2YL4METHYL1((4METHYLPHENYL)METHYL)5(2MORPHOLIN4YLETHYL)5HYDRO3PYRAZOLINO(43C)PYRIDINE36DIONE
CC1=CC=C(C=C1)CN2C3=CC(=O)N(C(=C3C(=O)N2C4=NC5=CC=CC=C5S4)C)CCN6CCOCC6
InChI=1SC28H29N5O3Sc1197921(10819)1832231725(34)31(121130131536161430)20(2)26(23)27(35)33(32)282922534624(22)3728h31017H111618H212H3
MFCD07620946
ZINC000021035098
ZINC21035098

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Available files

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