Vitas-M small molecule compound
7-hydroxy-1-(pentan-3-yl)-4-phenyl-1,2,4,6-tetrahydro-3H-pyrazolo[3,4-e][1,4]thiazepin-3-one
Catalog ID
STK566699
SMILES CCC(n1[nH]c(=O)c2c1N=C(O)CSC2c1ccccc1)CC
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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 C17H21N3O2S MW 331.44 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H21N3O2S/c1-3-12(4-2)20-16-14(17(22)19-20)15(23-10-13(21)18-16)11-8-6-5-7-9-11/h5-9,12,15H,3-4,10H2,1-2H3,(H,18,21)(H,19,22)InChIKey
ZHFWNGYAWLHKKW-UHFFFAOYSA-NSynonyms
674360-19-11PENTAN3YL4PHENYL48DIHYDRO2HPYRAZOLO(34E)(14)THIAZEPINE37DIONE
674360191
7hydroxy1(pentan3yl)4phenyl1246tetrahydro3Hpyrazolo(34e)(14)thiazepin3one
CCC(CC)N1C2=C(C(SCC(=O)N2)C3=CC=CC=C3)C(=O)N1
CCC(n1(nH)c(=O)c2c1N=C(O)CSC2c1ccccc1)CC
InChI=1SC17H21N3O2Sc1312(42)201614(17(22)1920)15(231013(21)1816)118657911h591215H3410H212H3(H1821)(H1922)
MFCD04076165
ZINC000006263737
ZINC000006263740
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