Vitas-M small molecule compound
1-cyclopentyl-3-hydroxy-4-[4-(propan-2-yloxy)phenyl]-4,8-dihydro-1H-pyrazolo[3,4-e][1,4]thiazepin-7(6H)-one
Catalog ID
STL233955
SMILES O=C1CSC(c2c(N1)n(nc2O)C1CCCC1)c1ccc(cc1)OC(C)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 C20H25N3O3S MW 387.50 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H25N3O3S/c1-12(2)26-15-9-7-13(8-10-15)18-17-19(21-16(24)11-27-18)23(22-20(17)25)14-5-3-4-6-14/h7-10,12,14,18H,3-6,11H2,1-2H3,(H,21,24)(H,22,25)InChIKey
BGJNEQDIGHFPJJ-UHFFFAOYSA-NSynonyms
692270-92-1(4S)1CYCLOPENTYL4(4(PROPAN2YLOXY)PHENYL)48DIHYDRO1HPYRAZOLO(34E)(14)THIAZEPINE37(2H6H)DIONE
1cyclopentyl3hydroxy4(4(propan2yloxy)phenyl)48dihydro1Hpyrazolo(34e)(14)thiazepin7(6H)one
1cyclopentyl3hydroxy4(4isopropoxyphenyl)68dihydro1Hpyrazolo(34e)(14)thiazepin7(4H)one
1CYCLOPENTYL4(4PROPAN2YLOXYPHENYL)48DIHYDRO2HPYRAZOLO(34E)(14)THIAZEPINE37DIONE
692270921
CC(C)OC1=CC=C(C=C1)C2C3=C(NC(=O)CS2)N(NC3=O)C4CCCC4
InChI=1SC20H25N3O3Sc112(2)26159713(81015)181719(2116(24)112718)23(2220(17)25)14534614h710121418H3611H212H3(H2124)(H2225)
MFCD03666820
ZINC000005690077
ZINC000005690079
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