Vitas-M small molecule compound

1-methyl-4-(4-nitrophenyl)-4,6-dihydro-1H-pyrazolo[3,4-e][1,4]thiazepin-7-ol

Catalog ID
STL161090
SMILES OC1=Nc2n(C)ncc2C(SC1)c1ccc(cc1)[N+](=O)[O-]

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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 C13H12N4O3S MW 304.33 g/mol Purity >90% as per NMR
InChI
InChI=1S/C13H12N4O3S/c1-16-13-10(6-14-16)12(21-7-11(18)15-13)8-2-4-9(5-3-8)17(19)20/h2-6,12H,7H2,1H3,(H,15,18)
InChIKey
FTLGVVNGVKSHSU-UHFFFAOYSA-N
Synonyms
1246051-26-2
1246051262
1methyl4(4nitrophenyl)46dihydro1Hpyrazolo(34e)(14)thiazepin7ol
MFCD20759260
OC1=Nc2n(C)ncc2C(SC1)c1ccc(cc1)(N+)(=O)(O)
ZINC000049550150
ZINC000049550152

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Available files

Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.