Vitas-M small molecule compound
1-(butan-2-yl)-4-(4-chlorophenyl)-3-hydroxy-4,8-dihydro-1H-pyrazolo[3,4-e][1,4]thiazepin-7(6H)-one
Catalog ID
STL234464
SMILES CCC(n1nc(c2c1NC(=O)CSC2c1ccc(cc1)Cl)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 C16H18ClN3O2S MW 351.86 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H18ClN3O2S/c1-3-9(2)20-15-13(16(22)19-20)14(23-8-12(21)18-15)10-4-6-11(17)7-5-10/h4-7,9,14H,3,8H2,1-2H3,(H,18,21)(H,19,22)InChIKey
AFASFBTYVYASHR-UHFFFAOYSA-NSynonyms
797015-58-81(butan2yl)4(4chlorophenyl)3hydroxy48dihydro1Hpyrazolo(34e)(14)thiazepin7(6H)one
1(secbutyl)4(4chlorophenyl)3hydroxy68dihydro1Hpyrazolo(34e)(14)thiazepin7(4H)one
1BUTAN2YL4(4CHLOROPHENYL)48DIHYDRO2HPYRAZOLO(34E)(14)THIAZEPINE37DIONE
797015588
CCC(C)N1C2=C(C(SCC(=O)N2)C3=CC=C(C=C3)Cl)C(=O)N1
InChI=1SC16H18ClN3O2Sc139(2)201513(16(22)1920)14(23812(21)1815)104611(17)7510h47914H38H212H3(H1821)(H1922)
MFCD03662716
ZINC000005431116
ZINC000005431437
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