Vitas-M small molecule compound
5-{2-ethoxy-5-[(1,3,3-trimethyl-6-azabicyclo[3.2.1]oct-6-yl)sulfonyl]phenyl}-1-methyl-3-propyl-1,6-dihydro-7H-pyrazolo[4,3-d]pyrimidin-7-one
Catalog ID
STK528596
SMILES CCCc1nn(c2c1nc([nH]c2=O)c1cc(ccc1OCC)S(=O)(=O)N1CC2(CC1CC(C2)(C)C)C)C
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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 C27H37N5O4S MW 527.69 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H37N5O4S/c1-7-9-20-22-23(31(6)30-20)25(33)29-24(28-22)19-12-18(10-11-21(19)36-8-2)37(34,35)32-16-27(5)14-17(32)13-26(3,4)15-27/h10-12,17H,7-9,13-16H2,1-6H3,(H,28,29,33)InChIKey
COLVNLJTOAVVDM-UHFFFAOYSA-NSynonyms
372978-99-9372978999
5(2ethoxy5((133trimethyl6azabicyclo(321)oct6yl)sulfonyl)phenyl)1methyl3propyl16dihydro7Hpyrazolo(43d)pyrimidin7one
5(2ethoxy5((133trimethyl6azabicyclo(321)octan6yl)sulfonyl)phenyl)1methyl3propyl1Hpyrazolo(43d)pyrimidin7(6H)one
5(2ETHOXY5((335TRIMETHYL7AZABICYCLO(321)OCTAN7YL)SULFONYL)PHENYL)1METHYL3PROPYL4HPYRAZOLO(43D)PYRIMIDIN7ONE
CCCC1=NN(C2=C1NC(=NC2=O)C3=C(C=CC(=C3)S(=O)(=O)N4CC5(CC4CC(C5)(C)C)C)OCC)C
CCCc1nn(c2c1nc((nH)c2=O)c1cc(ccc1OCC)S(=O)(=O)N1CC2(CC1CC(C2)(C)C)C)C
InChI=1SC27H37N5O4Sc179202223(31(6)3020)25(33)2924(2822)191218(101121(19)3682)37(3435)321627(5)1417(32)1326(34)1527h101217H791316H216H3(H282933)
MFCD01954315
ZINC000239030916
Check stock
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Check stock on Vitas-MAvailable files
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