Vitas-M small molecule compound
4-(4-chlorophenyl)-7-hydroxy-1-(pentan-3-yl)-1,2,4,6-tetrahydro-3H-pyrazolo[3,4-e][1,4]thiazepin-3-one
Catalog ID
STL043803
SMILES CCC(n1[nH]c(=O)c2c1N=C(O)CSC2c1ccc(cc1)Cl)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 C17H20ClN3O2S MW 365.88 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H20ClN3O2S/c1-3-12(4-2)21-16-14(17(23)20-21)15(24-9-13(22)19-16)10-5-7-11(18)8-6-10/h5-8,12,15H,3-4,9H2,1-2H3,(H,19,22)(H,20,23)InChIKey
IZAJVLBYLZXLCA-UHFFFAOYSA-NSynonyms
672920-82-0(4S)4(4CHLOROPHENYL)1(PENTAN3YL)48DIHYDRO1HPYRAZOLO(34E)(14)THIAZEPINE37(2H6H)DIONE
4(4CHLOROPHENYL)1PENTAN3YL48DIHYDRO2HPYRAZOLO(34E)(14)THIAZEPINE37DIONE
4(4chlorophenyl)7hydroxy1(pentan3yl)1246tetrahydro3Hpyrazolo(34e)(14)thiazepin3one
672920820
CCC(CC)N1C2=C(C(SCC(=O)N2)C3=CC=C(C=C3)Cl)C(=O)N1
CCC(n1(nH)c(=O)c2c1N=C(O)CSC2c1ccc(cc1)Cl)CC
InChI=1SC17H20ClN3O2Sc1312(42)211614(17(23)2021)15(24913(22)1916)105711(18)8610h581215H349H212H3(H1922)(H2023)
MFCD04077959
ZINC000005642603
ZINC000005642647
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