Vitas-M small molecule compound

4-(4-methylphenyl)-1-(pentan-2-yl)-4,8-dihydro-1H-pyrazolo[3,4-e][1,4]thiazepine-3,7(2H,6H)-dione

Catalog ID
STL494190
SMILES CCCC(n1[nH]c(=O)c2c1NC(=O)CSC2c1ccc(cc1)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 C18H23N3O2S MW 345.47 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H23N3O2S/c1-4-5-12(3)21-17-15(18(23)20-21)16(24-10-14(22)19-17)13-8-6-11(2)7-9-13/h6-9,12,16H,4-5,10H2,1-3H3,(H,19,22)(H,20,23)
InChIKey
UEZUJIKAUISELV-UHFFFAOYSA-N
Synonyms
714283-14-4
(4R)4(4METHYLPHENYL)1((2R)PENTAN2YL)48DIHYDRO1HPYRAZOLO(34E)(14)THIAZEPINE37(2H6H)DIONE
(4R)4(4METHYLPHENYL)1((2S)PENTAN2YL)48DIHYDRO1HPYRAZOLO(34E)(14)THIAZEPINE37(2H6H)DIONE
(4S)4(4METHYLPHENYL)1((2R)PENTAN2YL)48DIHYDRO1HPYRAZOLO(34E)(14)THIAZEPINE37(2H6H)DIONE
4(4METHYLPHENYL)1(PENTAN2YL)46DIHYDRO1HPYRAZOLO(34E)(14)THIAZEPINE37DIOL
4(4methylphenyl)1(pentan2yl)48dihydro1Hpyrazolo(34e)(14)thiazepine37(2H6H)dione
4(4METHYLPHENYL)1PENTAN2YL48DIHYDRO2HPYRAZOLO(34E)(14)THIAZEPINE37DIONE
714283144
CCCC(C)N1C2=C(C(SCC(=O)N2)C3=CC=C(C=C3)C)C(=O)N1
CCCC(n1(nH)c(=O)c2c1NC(=O)CSC2c1ccc(cc1)C)C
InChI=1SC18H23N3O2Sc14512(3)211715(18(23)2021)16(241014(22)1917)138611(2)7913h691216H4510H213H3(H1922)(H2023)
MFCD30716248
ZINC000005643050
ZINC000005643166

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Available files

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