Vitas-M small molecule compound
7-hydroxy-4-(3-nitrophenyl)-1-(pentan-3-yl)-1,2,4,6-tetrahydro-3H-pyrazolo[3,4-e][1,4]thiazepin-3-one
Catalog ID
STK562297
SMILES CCC(n1[nH]c(=O)c2c1N=C(O)CSC2c1cccc(c1)[N+](=O)[O-])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 C17H20N4O4S MW 376.44 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H20N4O4S/c1-3-11(4-2)20-16-14(17(23)19-20)15(26-9-13(22)18-16)10-6-5-7-12(8-10)21(24)25/h5-8,11,15H,3-4,9H2,1-2H3,(H,18,22)(H,19,23)InChIKey
NGNNQWFIDXYJBW-UHFFFAOYSA-NSynonyms
573948-70-6(4S)4(3NITROPHENYL)1(PENTAN3YL)48DIHYDRO1HPYRAZOLO(34E)(14)THIAZEPINE37(2H6H)DIONE
4(3NITROPHENYL)1PENTAN3YL48DIHYDRO2HPYRAZOLO(34E)(14)THIAZEPINE37DIONE
573948706
7hydroxy4(3nitrophenyl)1(pentan3yl)1246tetrahydro3Hpyrazolo(34e)(14)thiazepin3one
CCC(CC)N1C2=C(C(SCC(=O)N2)C3=CC(=CC=C3)(N+)(=O)(O))C(=O)N1
CCC(n1(nH)c(=O)c2c1N=C(O)CSC2c1cccc(c1)(N+)(=O)(O))CC
InChI=1SC17H20N4O4Sc1311(42)201614(17(23)1920)15(26913(22)1816)1065712(810)21(24)25h581115H349H212H3(H1822)(H1923)
MFCD04072579
ZINC000006263736
ZINC000006263739
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Check stock on Vitas-MAvailable files
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