Vitas-M small molecule compound

8-ethyl-2-[4-({4-[(3-methoxypyrazin-2-yl)sulfamoyl]phenyl}carbamothioyl)piperazin-1-yl]-5-oxo-5,8-dihydropyrido[2,3-d]pyrimidine-6-carboxylic acid

Catalog ID
STK683096
SMILES COc1nccnc1NS(=O)(=O)c1ccc(cc1)NC(=S)N1CCN(CC1)c1ncc2c(n1)n(CC)cc(c2=O)C(=O)O

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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 C26H27N9O6S2 MW 625.69 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H27N9O6S2/c1-3-33-15-19(24(37)38)20(36)18-14-29-25(31-22(18)33)34-10-12-35(13-11-34)26(42)30-16-4-6-17(7-5-16)43(39,40)32-21-23(41-2)28-9-8-27-21/h4-9,14-15H,3,10-13H2,1-2H3,(H,27,32)(H,30,42)(H,37,38)
InChIKey
FEVQATOFYHUJBM-UHFFFAOYSA-N
Synonyms
696615-42-6
696615426
8ETHYL2(4((4((3METHOXYPYRAZIN2YL)SULFAMOYL)PHENYL)CARBAMOTHIOYL)PIPERAZIN1IUM1YL)5OXOPYRIDO(23D)PYRIMIDINE6CARBOXYLATE
8ethyl2(4((4((3methoxypyrazin2yl)sulfamoyl)phenyl)carbamothioyl)piperazin1yl)5oxo58dihydropyrido(23d)pyrimidine6carboxylicacid
8ETHYL2(4((4((3METHOXYPYRAZIN2YL)SULFAMOYL)PHENYL)CARBAMOTHIOYL)PIPERAZIN1YL)5OXOPYRIDO(23D)PYRIMIDINE6CARBOXYLICACID
CCN1C=C(C(=O)C2=CN=C(N=C21)(NH+)3CCN(CC3)C(=S)NC4=CC=C(C=C4)S(=O)(=O)NC5=NC=CN=C5OC)C(=O)(O)
InChI=1SC26H27N9O6S2c13331519(24(37)38)20(36)18142925(3122(18)33)34101235(131134)26(42)30164617(7516)43(3940)322123(412)28982721h491415H31013H212H3(H2732)(H3042)(H3738)
MFCD04062073
ZINC000098005963
ZINC98005963

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Available files

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