Vitas-M small molecule compound
7-hydroxy-4-(4-methoxyphenyl)-1-(pentan-2-yl)-1,2,4,6-tetrahydro-3H-pyrazolo[3,4-e][1,4]thiazepin-3-one
Catalog ID
STL046854
SMILES CCCC(n1[nH]c(=O)c2c1N=C(O)CSC2c1ccc(cc1)OC)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 C18H23N3O3S MW 361.47 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H23N3O3S/c1-4-5-11(2)21-17-15(18(23)20-21)16(25-10-14(22)19-17)12-6-8-13(24-3)9-7-12/h6-9,11,16H,4-5,10H2,1-3H3,(H,19,22)(H,20,23)InChIKey
KZVUTSACBISHOV-UHFFFAOYSA-NSynonyms
585552-60-9(4R)4(4METHOXYPHENYL)1((2R)PENTAN2YL)48DIHYDRO1HPYRAZOLO(34E)(14)THIAZEPINE37(2H6H)DIONE
(4R)4(4METHOXYPHENYL)1((2S)PENTAN2YL)48DIHYDRO1HPYRAZOLO(34E)(14)THIAZEPINE37(2H6H)DIONE
3HYDROXY4(4METHOXYPHENYL)1(1METHYLBUTYL)48DIHYDRO1HPYRAZOLO(34E)(14)THIAZEPIN7ONE
4(4METHOXYPHENYL)1(1METHYLBUTYL)48DIHYDRO1HPYRAZOLO(34E)(14)THIAZEPINE37(2H6H)DIONE
4(4METHOXYPHENYL)1PENTAN2YL48DIHYDRO2HPYRAZOLO(34E)(14)THIAZEPINE37DIONE
585552609
7hydroxy4(4methoxyphenyl)1(pentan2yl)1246tetrahydro3Hpyrazolo(34e)(14)thiazepin3one
CCCC(C)N1C2=C(C(SCC(=O)N2)C3=CC=C(C=C3)OC)C(=O)N1
CCCC(n1(nH)c(=O)c2c1N=C(O)CSC2c1ccc(cc1)OC)C
InChI=1SC18H23N3O3Sc14511(2)211715(18(23)2021)16(251014(22)1917)126813(243)9712h691116H4510H213H3(H1922)(H2023)
MFCD04073781
ZINC000005643059
ZINC000005643174
Check stock
See real-time availability and sample size for STL046854 on the Vitas-M platform.
Check stock on Vitas-MAvailable files
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