Vitas-M small molecule compound
4-(3,4-dimethoxyphenyl)-3-hydroxy-1-(propan-2-yl)-4,8-dihydro-1H-pyrazolo[3,4-e][1,4]thiazepin-7(6H)-one
Catalog ID
STL234760
SMILES COc1cc(ccc1OC)C1SCC(=O)Nc2c1c(O)nn2C(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 C17H21N3O4S MW 363.44 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H21N3O4S/c1-9(2)20-16-14(17(22)19-20)15(25-8-13(21)18-16)10-5-6-11(23-3)12(7-10)24-4/h5-7,9,15H,8H2,1-4H3,(H,18,21)(H,19,22)InChIKey
CWWLDIYHHRJDMY-UHFFFAOYSA-NSynonyms
692274-64-9(4R)4(34DIMETHOXYPHENYL)1(PROPAN2YL)48DIHYDRO1HPYRAZOLO(34E)(14)THIAZEPINE37(2H6H)DIONE
4(34DIMETHOXYPHENYL)1PROPAN2YL48DIHYDRO2HPYRAZOLO(34E)(14)THIAZEPINE37DIONE
4(34dimethoxyphenyl)3hydroxy1(propan2yl)48dihydro1Hpyrazolo(34e)(14)thiazepin7(6H)one
4(34dimethoxyphenyl)3hydroxy1isopropyl68dihydro1Hpyrazolo(34e)(14)thiazepin7(4H)one
692274649
CC(C)N1C2=C(C(SCC(=O)N2)C3=CC(=C(C=C3)OC)OC)C(=O)N1
InChI=1SC17H21N3O4Sc19(2)201614(17(22)1920)15(25813(21)1816)105611(233)12(710)244h57915H8H214H3(H1821)(H1922)
MFCD03664196
ZINC000005408189
ZINC000005861343
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