Vitas-M small molecule compound

4-[4-methoxy-3-(2-methylpropoxy)phenyl]-2,6-dihydro-4H-pyrazolo[3,4-e][1,4]thiazepin-7-ol

Catalog ID
STK650071
SMILES COc1ccc(cc1OCC(C)C)C1SCC(=Nc2c1c[nH]n2)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 C17H21N3O3S MW 347.44 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H21N3O3S/c1-10(2)8-23-14-6-11(4-5-13(14)22-3)16-12-7-18-20-17(12)19-15(21)9-24-16/h4-7,10,16H,8-9H2,1-3H3,(H2,18,19,20,21)
InChIKey
XJEIKRQDIJWSQT-UHFFFAOYSA-N
Synonyms
1171225-35-6
1171225356
4(4methoxy3(2methylpropoxy)phenyl)24dihydro1Hpyrazolo(34e)(14)thiazepin7one
4(4methoxy3(2methylpropoxy)phenyl)26dihydro4Hpyrazolo(34e)(14)thiazepin7ol
CC(C)COC1=C(C=CC(=C1)C2C3=CNNC3=NC(=O)CS2)OC
COc1ccc(cc1OCC(C)C)C1SCC(=Nc2c1c(nH)n2)O
InChI=1SC17H21N3O3Sc110(2)82314611(4513(14)223)16127182017(12)1915(21)92416h471016H89H213H3(H218192021)
MFCD18165490
ZINC000031809642
ZINC000031809647

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Available files

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