Vitas-M small molecule compound
7-hydroxy-1-(pentan-2-yl)-4-[4-(prop-2-en-1-yloxy)phenyl]-1,2,4,6-tetrahydro-3H-pyrazolo[3,4-e][1,4]thiazepin-3-one
Catalog ID
STL147658
SMILES CCCC(n1[nH]c(=O)c2c1N=C(O)CSC2c1ccc(cc1)OCC=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 C20H25N3O3S MW 387.50 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H25N3O3S/c1-4-6-13(3)23-19-17(20(25)22-23)18(27-12-16(24)21-19)14-7-9-15(10-8-14)26-11-5-2/h5,7-10,13,18H,2,4,6,11-12H2,1,3H3,(H,21,24)(H,22,25)InChIKey
DYOKCUFIRHAXFQ-UHFFFAOYSA-NSynonyms
674811-66-6(4R)1((2S)PENTAN2YL)4(4(PROP2EN1YLOXY)PHENYL)48DIHYDRO1HPYRAZOLO(34E)(14)THIAZEPINE37(2H6H)DIONE
(4S)1((2S)PENTAN2YL)4(4(PROP2EN1YLOXY)PHENYL)48DIHYDRO1HPYRAZOLO(34E)(14)THIAZEPINE37(2H6H)DIONE
1PENTAN2YL4(4PROP2ENOXYPHENYL)48DIHYDRO2HPYRAZOLO(34E)(14)THIAZEPINE37DIONE
674811666
7hydroxy1(pentan2yl)4(4(prop2en1yloxy)phenyl)1246tetrahydro3Hpyrazolo(34e)(14)thiazepin3one
CCCC(C)N1C2=C(C(SCC(=O)N2)C3=CC=C(C=C3)OCC=C)C(=O)N1
CCCC(n1(nH)c(=O)c2c1N=C(O)CSC2c1ccc(cc1)OCC=C)C
InChI=1SC20H25N3O3Sc14613(3)231917(20(25)2223)18(271216(24)2119)147915(10814)261152h57101318H2461112H213H3(H2124)(H2225)
MFCD04077179
ZINC000006075920
ZINC000006075927
Check stock
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