Vitas-M small molecule compound

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

Catalog ID
STK262451
SMILES O=c1cc2c(c(n1CCCN1CCOCC1)C)c(=O)n(n2Cc1ccccc1)c1nc2c(s1)cccc2

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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/c1-20-26-23(18-25(34)31(20)13-7-12-30-14-16-36-17-15-30)32(19-21-8-3-2-4-9-21)33(27(26)35)28-29-22-10-5-6-11-24(22)37-28/h2-6,8-11,18H,7,12-17,19H2,1H3
InChIKey
CZWNMRXVMWMATE-UHFFFAOYSA-N
Synonyms

2(13benzothiazol2yl)1benzyl4methyl5(3(morpholin4yl)propyl)1Hpyrazolo(43c)pyridine36(2H5H)dione
2(13BENZOTHIAZOL2YL)1BENZYL4METHYL5(3MORPHOLIN4YLPROPYL)PYRAZOLO(43C)PYRIDINE36DIONE
2(BENZO(D)THIAZOL2YL)1BENZYL4METHYL5(3MORPHOLINOPROPYL)12DIHYDRO5HPYRAZOLO(43C)PYRIDINE36DIONE
2BENZOTHIAZOL2YL4METHYL5(3MORPHOLIN4YLPROPYL)1BENZYL5HYDRO3PYRAZOLINO(43C)PYRIDINE36DIONE
CC1=C2C(=CC(=O)N1CCCN3CCOCC3)N(N(C2=O)C4=NC5=CC=CC=C5S4)CC6=CC=CC=C6
InChI=1SC28H29N5O3Sc1202623(1825(34)31(20)1371230141636171530)32(19218324921)33(27(26)35)28292210561124(22)3728h2681118H7121719H21H3
MFCD07620943
ZINC000019944054
ZINC19944054

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Available files

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