Vitas-M small molecule compound
7-hydroxy-1-(pentan-2-yl)-4-[4-(propan-2-yloxy)phenyl]-1,2,4,6-tetrahydro-3H-pyrazolo[3,4-e][1,4]thiazepin-3-one
Catalog ID
STK846693
SMILES CCCC(n1[nH]c(=O)c2c1N=C(O)CSC2c1ccc(cc1)OC(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 C20H27N3O3S MW 389.52 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H27N3O3S/c1-5-6-13(4)23-19-17(20(25)22-23)18(27-11-16(24)21-19)14-7-9-15(10-8-14)26-12(2)3/h7-10,12-13,18H,5-6,11H2,1-4H3,(H,21,24)(H,22,25)InChIKey
LDAJRIAODYMKGN-UHFFFAOYSA-NSynonyms
577790-67-1(4R)1((2S)PENTAN2YL)4(4(PROPAN2YLOXY)PHENYL)48DIHYDRO1HPYRAZOLO(34E)(14)THIAZEPINE37(2H6H)DIONE
(4S)1((2R)PENTAN2YL)4(4(PROPAN2YLOXY)PHENYL)48DIHYDRO1HPYRAZOLO(34E)(14)THIAZEPINE37(2H6H)DIONE
1(1METHYLBUTYL)4(4(1METHYLETHOXY)PHENYL)48DIHYDRO1HPYRAZOLO(34E)(14)THIAZEPINE37(2H6H)DIONE
1PENTAN2YL4(4PROPAN2YLOXYPHENYL)48DIHYDRO2HPYRAZOLO(34E)(14)THIAZEPINE37DIONE
577790671
7hydroxy1(pentan2yl)4(4(propan2yloxy)phenyl)1246tetrahydro3Hpyrazolo(34e)(14)thiazepin3one
CCCC(C)N1C2=C(C(SCC(=O)N2)C3=CC=C(C=C3)OC(C)C)C(=O)N1
CCCC(n1(nH)c(=O)c2c1N=C(O)CSC2c1ccc(cc1)OC(C)C)C
InChI=1SC20H27N3O3Sc15613(4)231917(20(25)2223)18(271116(24)2119)147915(10814)2612(2)3h710121318H5611H214H3(H2124)(H2225)
MFCD04075463
ZINC000006265231
ZINC000006265383
Check stock
See real-time availability and sample size for STK846693 on the Vitas-M platform.
Check stock on Vitas-MAvailable files
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