Vitas-M small molecule compound
3-hydroxy-1-(propan-2-yl)-4-[4-(prop-2-en-1-yloxy)phenyl]-4,8-dihydro-1H-pyrazolo[3,4-e][1,4]thiazepin-7(6H)-one
Catalog ID
STL240970
SMILES C=CCOc1ccc(cc1)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 C18H21N3O3S MW 359.45 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H21N3O3S/c1-4-9-24-13-7-5-12(6-8-13)16-15-17(19-14(22)10-25-16)21(11(2)3)20-18(15)23/h4-8,11,16H,1,9-10H2,2-3H3,(H,19,22)(H,20,23)InChIKey
SPOHOLGIFJAILQ-UHFFFAOYSA-NSynonyms
797774-04-01PROPAN2YL4(4PROP2ENOXYPHENYL)48DIHYDRO2HPYRAZOLO(34E)(14)THIAZEPINE37DIONE
3hydroxy1(propan2yl)4(4(prop2en1yloxy)phenyl)48dihydro1Hpyrazolo(34e)(14)thiazepin7(6H)one
4(4(allyloxy)phenyl)3hydroxy1isopropyl68dihydro1Hpyrazolo(34e)(14)thiazepin7(4H)one
797774040
CC(C)N1C2=C(C(SCC(=O)N2)C3=CC=C(C=C3)OCC=C)C(=O)N1
InChI=1SC18H21N3O3Sc14924137512(6813)161517(1914(22)102516)21(11(2)3)2018(15)23h481116H1910H223H3(H1922)(H2023)
MFCD03666278
ZINC000005690184
ZINC000005690187
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