Vitas-M small molecule compound
1-(pentan-2-yl)-4-(2-propoxyphenyl)-4,8-dihydro-1H-pyrazolo[3,4-e][1,4]thiazepine-3,7(2H,6H)-dione
Catalog ID
STL491816
SMILES CCCOc1ccccc1C1SCC(=O)Nc2c1c(=O)[nH]n2C(CCC)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/c1-4-8-13(3)23-19-17(20(25)22-23)18(27-12-16(24)21-19)14-9-6-7-10-15(14)26-11-5-2/h6-7,9-10,13,18H,4-5,8,11-12H2,1-3H3,(H,21,24)(H,22,25)InChIKey
ANRQTMZEWFHDRY-UHFFFAOYSA-NSynonyms
713093-53-9(4R)1((2S)PENTAN2YL)4(2PROPOXYPHENYL)48DIHYDRO1HPYRAZOLO(34E)(14)THIAZEPINE37(2H6H)DIONE
(4S)1((2S)PENTAN2YL)4(2PROPOXYPHENYL)48DIHYDRO1HPYRAZOLO(34E)(14)THIAZEPINE37(2H6H)DIONE
1(PENTAN2YL)4(2PROPOXYPHENYL)46DIHYDRO1HPYRAZOLO(34E)(14)THIAZEPINE37DIOL
1(pentan2yl)4(2propoxyphenyl)48dihydro1Hpyrazolo(34e)(14)thiazepine37(2H6H)dione
1PENTAN2YL4(2PROPOXYPHENYL)48DIHYDRO2HPYRAZOLO(34E)(14)THIAZEPINE37DIONE
CCCC(C)N1C2=C(C(SCC(=O)N2)C3=CC=CC=C3OCCC)C(=O)N1
CCCOc1ccccc1C1SCC(=O)Nc2c1c(=O)(nH)n2C(CCC)C
InChI=1SC20H27N3O3Sc14813(3)231917(20(25)2223)18(271216(24)2119)149671015(14)261152h679101318H4581112H213H3(H2124)(H2225)
MFCD30714750
ZINC000005499498
ZINC000018180251
Check stock
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Check stock on Vitas-MAvailable files
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