Vitas-M small molecule compound
1-(butan-2-yl)-3-hydroxy-4-[4-(propan-2-yloxy)phenyl]-4,8-dihydro-1H-pyrazolo[3,4-e][1,4]thiazepin-7(6H)-one
Catalog ID
STL240677
SMILES CCC(n1nc(c2c1NC(=O)CSC2c1ccc(cc1)OC(C)C)O)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 C19H25N3O3S MW 375.49 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H25N3O3S/c1-5-12(4)22-18-16(19(24)21-22)17(26-10-15(23)20-18)13-6-8-14(9-7-13)25-11(2)3/h6-9,11-12,17H,5,10H2,1-4H3,(H,20,23)(H,21,24)InChIKey
DHJFGHCLOQAWEX-UHFFFAOYSA-NSynonyms
692261-47-51(butan2yl)3hydroxy4(4(propan2yloxy)phenyl)48dihydro1Hpyrazolo(34e)(14)thiazepin7(6H)one
1(secbutyl)3hydroxy4(4isopropoxyphenyl)68dihydro1Hpyrazolo(34e)(14)thiazepin7(4H)one
1BUTAN2YL4(4PROPAN2YLOXYPHENYL)48DIHYDRO2HPYRAZOLO(34E)(14)THIAZEPINE37DIONE
692261475
CCC(C)N1C2=C(C(SCC(=O)N2)C3=CC=C(C=C3)OC(C)C)C(=O)N1
InChI=1SC19H25N3O3Sc1512(4)221816(19(24)2122)17(261015(23)2018)136814(9713)2511(2)3h69111217H510H214H3(H2023)(H2124)
MFCD03667889
ZINC000005431119
ZINC000005431443
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