Vitas-M small molecule compound
4-[4-(benzyloxy)phenyl]-1-(butan-2-yl)-3-hydroxy-4,8-dihydro-1H-pyrazolo[3,4-e][1,4]thiazepin-7(6H)-one
Catalog ID
STK844782
SMILES CCC(n1nc(c2c1NC(=O)CSC2c1ccc(cc1)OCc1ccccc1)O)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 C23H25N3O3S MW 423.54 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H25N3O3S/c1-3-15(2)26-22-20(23(28)25-26)21(30-14-19(27)24-22)17-9-11-18(12-10-17)29-13-16-7-5-4-6-8-16/h4-12,15,21H,3,13-14H2,1-2H3,(H,24,27)(H,25,28)InChIKey
NURNGRBKIZFTRI-UHFFFAOYSA-NSynonyms
685122-09-2(4R)4(4(BENZYLOXY)PHENYL)1((2S)BUTAN2YL)48DIHYDRO1HPYRAZOLO(34E)(14)THIAZEPINE37(2H6H)DIONE
(4S)4(4(BENZYLOXY)PHENYL)1((2R)BUTAN2YL)48DIHYDRO1HPYRAZOLO(34E)(14)THIAZEPINE37(2H6H)DIONE
1BUTAN2YL4(4PHENYLMETHOXYPHENYL)48DIHYDRO2HPYRAZOLO(34E)(14)THIAZEPINE37DIONE
4(4(benzyloxy)phenyl)1(butan2yl)3hydroxy48dihydro1Hpyrazolo(34e)(14)thiazepin7(6H)one
4(4(benzyloxy)phenyl)1(secbutyl)3hydroxy68dihydro1Hpyrazolo(34e)(14)thiazepin7(4H)one
685122092
CCC(C)N1C2=C(C(SCC(=O)N2)C3=CC=C(C=C3)OCC4=CC=CC=C4)C(=O)N1
InChI=1SC23H25N3O3Sc1315(2)262220(23(28)2526)21(301419(27)2422)1791118(121017)2913167546816h4121521H31314H212H3(H2427)(H2528)
MFCD03627918
ZINC000002222674
ZINC000002222680
Check stock
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Check stock on Vitas-MAvailable files
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