Vitas-M small molecule compound
7-hydroxy-4-(4-nitrophenyl)-1-(pentan-2-yl)-1,2,4,6-tetrahydro-3H-pyrazolo[3,4-e][1,4]thiazepin-3-one
Catalog ID
STL044406
SMILES CCCC(n1[nH]c(=O)c2c1N=C(O)CSC2c1ccc(cc1)[N+](=O)[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 C17H20N4O4S MW 376.44 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H20N4O4S/c1-3-4-10(2)20-16-14(17(23)19-20)15(26-9-13(22)18-16)11-5-7-12(8-6-11)21(24)25/h5-8,10,15H,3-4,9H2,1-2H3,(H,18,22)(H,19,23)InChIKey
OCODTJGXQSVHEI-UHFFFAOYSA-NSynonyms
674360-29-3(4S)4(4NITROPHENYL)1((2R)PENTAN2YL)48DIHYDRO1HPYRAZOLO(34E)(14)THIAZEPINE37(2H6H)DIONE
4(4NITROPHENYL)1PENTAN2YL48DIHYDRO2HPYRAZOLO(34E)(14)THIAZEPINE37DIONE
674360293
7hydroxy4(4nitrophenyl)1(pentan2yl)1246tetrahydro3Hpyrazolo(34e)(14)thiazepin3one
CCCC(C)N1C2=C(C(SCC(=O)N2)C3=CC=C(C=C3)(N+)(=O)(O))C(=O)N1
CCCC(n1(nH)c(=O)c2c1N=C(O)CSC2c1ccc(cc1)(N+)(=O)(O))C
InChI=1SC17H20N4O4Sc13410(2)201614(17(23)1920)15(26913(22)1816)115712(8611)21(24)25h581015H349H212H3(H1822)(H1923)
MFCD04076170
ZINC000006265233
ZINC000006265385
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