Vitas-M small molecule compound
1-(butan-2-yl)-4-(4-ethoxyphenyl)-7-hydroxy-1,2,4,6-tetrahydro-3H-pyrazolo[3,4-e][1,4]thiazepin-3-one
Catalog ID
STL047705
SMILES CCOc1ccc(cc1)C1SCC(=Nc2c1c(=O)[nH]n2C(CC)C)O
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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/c1-4-11(3)21-17-15(18(23)20-21)16(25-10-14(22)19-17)12-6-8-13(9-7-12)24-5-2/h6-9,11,16H,4-5,10H2,1-3H3,(H,19,22)(H,20,23)InChIKey
CZVNZHVNGQKUEK-UHFFFAOYSA-NSynonyms
578701-16-3(4R)1((2R)BUTAN2YL)4(4ETHOXYPHENYL)48DIHYDRO1HPYRAZOLO(34E)(14)THIAZEPINE37(2H6H)DIONE
(4R)1((2S)BUTAN2YL)4(4ETHOXYPHENYL)48DIHYDRO1HPYRAZOLO(34E)(14)THIAZEPINE37(2H6H)DIONE
1(butan2yl)4(4ethoxyphenyl)7hydroxy1246tetrahydro3Hpyrazolo(34e)(14)thiazepin3one
1BUTAN2YL4(4ETHOXYPHENYL)48DIHYDRO2HPYRAZOLO(34E)(14)THIAZEPINE37DIONE
578701163
CCC(C)N1C2=C(C(SCC(=O)N2)C3=CC=C(C=C3)OCC)C(=O)N1
CCOc1ccc(cc1)C1SCC(=Nc2c1c(=O)(nH)n2C(CC)C)O
InChI=1SC18H23N3O3Sc1411(3)211715(18(23)2021)16(251014(22)1917)126813(9712)2452h691116H4510H213H3(H1922)(H2023)
MFCD04072854
ZINC000006554918
ZINC000006555346
Check stock
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Check stock on Vitas-MAvailable files
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