Vitas-M small molecule compound
4-(2-ethoxyphenyl)-1-(pentan-2-yl)-4,8-dihydro-1H-pyrazolo[3,4-e][1,4]thiazepine-3,7(2H,6H)-dione
Catalog ID
STL492237
SMILES CCCC(n1[nH]c(=O)c2c1NC(=O)CSC2c1ccccc1OCC)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 C19H25N3O3S MW 375.49 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H25N3O3S/c1-4-8-12(3)22-18-16(19(24)21-22)17(26-11-15(23)20-18)13-9-6-7-10-14(13)25-5-2/h6-7,9-10,12,17H,4-5,8,11H2,1-3H3,(H,20,23)(H,21,24)InChIKey
XIYXXNNFGDFKAH-UHFFFAOYSA-NSynonyms
714916-99-1(4R)4(2ETHOXYPHENYL)1((2S)PENTAN2YL)48DIHYDRO1HPYRAZOLO(34E)(14)THIAZEPINE37(2H6H)DIONE
(4S)4(2ETHOXYPHENYL)1((2R)PENTAN2YL)48DIHYDRO1HPYRAZOLO(34E)(14)THIAZEPINE37(2H6H)DIONE
4(2ETHOXYPHENYL)1(1METHYLBUTYL)48DIHYDRO1HPYRAZOLO(34E)(14)THIAZEPINE37(2H6H)DIONE
4(2ETHOXYPHENYL)1(PENTAN2YL)46DIHYDRO1HPYRAZOLO(34E)(14)THIAZEPINE37DIOL
4(2ethoxyphenyl)1(pentan2yl)48dihydro1Hpyrazolo(34e)(14)thiazepine37(2H6H)dione
4(2ETHOXYPHENYL)1PENTAN2YL48DIHYDRO2HPYRAZOLO(34E)(14)THIAZEPINE37DIONE
714916991
CCCC(C)N1C2=C(C(SCC(=O)N2)C3=CC=CC=C3OCC)C(=O)N1
CCCC(n1(nH)c(=O)c2c1NC(=O)CSC2c1ccccc1OCC)C
InChI=1SC19H25N3O3Sc14812(3)221816(19(24)2122)17(261115(23)2018)139671014(13)2552h679101217H45811H213H3(H2023)(H2124)
MFCD30715009
ZINC000005643067
ZINC000009357180
Check stock
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Check stock on Vitas-MAvailable files
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