Vitas-M small molecule compound
4-(4-butoxyphenyl)-7-hydroxy-1-(pentan-2-yl)-1,2,4,6-tetrahydro-3H-pyrazolo[3,4-e][1,4]thiazepin-3-one
Catalog ID
STK560312
SMILES CCCCOc1ccc(cc1)C1SCC(=Nc2c1c(=O)[nH]n2C(CCC)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 C21H29N3O3S MW 403.55 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H29N3O3S/c1-4-6-12-27-16-10-8-15(9-11-16)19-18-20(22-17(25)13-28-19)24(23-21(18)26)14(3)7-5-2/h8-11,14,19H,4-7,12-13H2,1-3H3,(H,22,25)(H,23,26)InChIKey
KHWKEPOCVIFWRU-UHFFFAOYSA-NSynonyms
578752-54-2(4R)4(4BUTOXYPHENYL)1((2R)PENTAN2YL)48DIHYDRO1HPYRAZOLO(34E)(14)THIAZEPINE37(2H6H)DIONE
(4S)4(4BUTOXYPHENYL)1((2S)PENTAN2YL)48DIHYDRO1HPYRAZOLO(34E)(14)THIAZEPINE37(2H6H)DIONE
4(4BUTOXYPHENYL)1PENTAN2YL48DIHYDRO2HPYRAZOLO(34E)(14)THIAZEPINE37DIONE
4(4butoxyphenyl)7hydroxy1(pentan2yl)1246tetrahydro3Hpyrazolo(34e)(14)thiazepin3one
578752542
CCCCOC1=CC=C(C=C1)C2C3=C(NC(=O)CS2)N(NC3=O)C(C)CCC
CCCCOc1ccc(cc1)C1SCC(=Nc2c1c(=O)(nH)n2C(CCC)C)O
InChI=1SC21H29N3O3Sc14612271610815(91116)191820(2217(25)132819)24(2321(18)26)14(3)752h8111419H471213H213H3(H2225)(H2326)
MFCD04077422
ZINC000006072726
ZINC000006072730
Check stock
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Check stock on Vitas-MAvailable files
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