Vitas-M small molecule compound
4-(2,4-dichlorophenyl)-3-hydroxy-1-(pentan-2-yl)-4,8-dihydro-1H-pyrazolo[3,4-e][1,4]thiazepin-7(6H)-one
Catalog ID
STK780430
SMILES CCCC(n1nc(c2c1NC(=O)CSC2c1ccc(cc1Cl)Cl)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 C17H19Cl2N3O2S MW 400.33 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H19Cl2N3O2S/c1-3-4-9(2)22-16-14(17(24)21-22)15(25-8-13(23)20-16)11-6-5-10(18)7-12(11)19/h5-7,9,15H,3-4,8H2,1-2H3,(H,20,23)(H,21,24)InChIKey
ZMQIKALRCJXHEP-UHFFFAOYSA-NSynonyms
586989-03-9(4S)4(24DICHLOROPHENYL)1((2S)PENTAN2YL)48DIHYDRO1HPYRAZOLO(34E)(14)THIAZEPINE37(2H6H)DIONE
4(24DICHLOROPHENYL)1PENTAN2YL48DIHYDRO2HPYRAZOLO(34E)(14)THIAZEPINE37DIONE
4(24dichlorophenyl)3hydroxy1(pentan2yl)48dihydro1Hpyrazolo(34e)(14)thiazepin7(6H)one
4(24dichlorophenyl)3hydroxy1(pentan2yl)68dihydro1Hpyrazolo(34e)(14)thiazepin7(4H)one
CCCC(C)N1C2=C(C(SCC(=O)N2)C3=C(C=C(C=C3)Cl)Cl)C(=O)N1
InChI=1SC17H19Cl2N3O2Sc1349(2)221614(17(24)2122)15(25813(23)2016)116510(18)712(11)19h57915H348H212H3(H2023)(H2124)
MFCD04032022
ZINC000006265386
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