Vitas-M small molecule compound
1-cyclopentyl-3-hydroxy-4-[4-(pentyloxy)phenyl]-4,8-dihydro-1H-pyrazolo[3,4-e][1,4]thiazepin-7(6H)-one
Catalog ID
STL239732
SMILES CCCCCOc1ccc(cc1)C1SCC(=O)Nc2c1c(O)nn2C1CCCC1
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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 C22H29N3O3S MW 415.56 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H29N3O3S/c1-2-3-6-13-28-17-11-9-15(10-12-17)20-19-21(23-18(26)14-29-20)25(24-22(19)27)16-7-4-5-8-16/h9-12,16,20H,2-8,13-14H2,1H3,(H,23,26)(H,24,27)InChIKey
XLUWSQGCRWFFJG-UHFFFAOYSA-NSynonyms
797015-63-5(4S)1CYCLOPENTYL4(4(PENTYLOXY)PHENYL)48DIHYDRO1HPYRAZOLO(34E)(14)THIAZEPINE37(2H6H)DIONE
1cyclopentyl3hydroxy4(4(pentyloxy)phenyl)48dihydro1Hpyrazolo(34e)(14)thiazepin7(6H)one
1cyclopentyl3hydroxy4(4(pentyloxy)phenyl)68dihydro1Hpyrazolo(34e)(14)thiazepin7(4H)one
1CYCLOPENTYL4(4PENTOXYPHENYL)48DIHYDRO2HPYRAZOLO(34E)(14)THIAZEPINE37DIONE
797015635
CCCCCOC1=CC=C(C=C1)C2C3=C(NC(=O)CS2)N(NC3=O)C4CCCC4
InChI=1SC22H29N3O3Sc123613281711915(101217)201921(2318(26)142920)25(2422(19)27)16745816h9121620H281314H21H3(H2326)(H2427)
MFCD03662741
ZINC000005735324
ZINC000005735348
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