Vitas-M small molecule compound

1-(2,2-dimethyltetrahydro-2H-pyran-4-yl)-7-hydroxy-4-[3-(pyridin-3-ylmethoxy)phenyl]-1,2,4,6-tetrahydro-3H-pyrazolo[3,4-e][1,4]thiazepin-3-one

Catalog ID
STL409910
SMILES OC1=Nc2c(C(SC1)c1cccc(c1)OCc1cccnc1)c(=O)[nH]n2C1CCOC(C1)(C)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 C25H28N4O4S MW 480.59 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H28N4O4S/c1-25(2)12-18(8-10-33-25)29-23-21(24(31)28-29)22(34-15-20(30)27-23)17-6-3-7-19(11-17)32-14-16-5-4-9-26-13-16/h3-7,9,11,13,18,22H,8,10,12,14-15H2,1-2H3,(H,27,30)(H,28,31)
InChIKey
XWLBVPUCOICEHP-UHFFFAOYSA-N
Synonyms
1574467-84-7
1(22dimethyloxan4yl)4(3(pyridin3ylmethoxy)phenyl)48dihydro2Hpyrazolo(34e)(14)thiazepine37dione
1(22dimethyltetrahydro2Hpyran4yl)7hydroxy4(3(pyridin3ylmethoxy)phenyl)1246tetrahydro3Hpyrazolo(34e)(14)thiazepin3one
1574467847
CC1(CC(CCO1)N2C3=C(C(SCC(=O)N3)C4=CC(=CC=C4)OCC5=CN=CC=C5)C(=O)N2)C
InChI=1SC25H28N4O4Sc125(2)1218(8103325)292321(24(31)2829)22(341520(30)2723)1763719(1117)321416549261316h37911131822H810121415H212H3(H2730)(H2831)
MFCD30705943
OC1=Nc2c(C(SC1)c1cccc(c1)OCc1cccnc1)c(=O)(nH)n2C1CCOC(C1)(C)C
ZINC000096118378
ZINC000096118381

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Available files

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