Vitas-M small molecule compound

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

Catalog ID
STL444549
SMILES CCCCCC(=O)N1CCN(CC1)CCn1c(=O)cc2c(c1CC)c(=O)n([nH]2)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 C27H34N6O3S MW 522.67 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H34N6O3S/c1-3-5-6-11-23(34)31-15-12-30(13-16-31)14-17-32-21(4-2)25-20(18-24(32)35)29-33(26(25)36)27-28-19-9-7-8-10-22(19)37-27/h7-10,18,29H,3-6,11-17H2,1-2H3
InChIKey
DOHFLWLWKAJPRF-UHFFFAOYSA-N
Synonyms

2(13benzothiazol2yl)4ethyl5(2(4hexanoylpiperazin1yl)ethyl)1Hpyrazolo(43c)pyridine36(2H5H)dione
2(13BENZOTHIAZOL2YL)4ETHYL5(2(4HEXANOYLPIPERAZIN1YL)ETHYL)1HPYRAZOLO(43C)PYRIDINE36DIONE
2(BENZO(D)THIAZOL2YL)4ETHYL5(2(4HEXANOYLPIPERAZIN1YL)ETHYL)12DIHYDRO5HPYRAZOLO(43C)PYRIDINE36DIONE
CCCCCC(=O)N1CCN(CC1)CCn1c(=O)cc2c(c1CC)c(=O)n((nH)2)c1nc2c(s1)cccc2
CCCCCC(=O)N1CCN(CC1)CCN2C(=O)C=C3C(=C2CC)C(=O)N(N3)C4=NC5=CC=CC=C5S4
InChI=1SC27H34N6O3Sc13561123(34)31151230(131631)14173221(42)2520(1824(32)35)2933(26(25)36)2728199781022(19)3727h7101829H361117H212H3
MFCD04222028
ZINC000020388027
ZINC20388027

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Available files

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