Vitas-M small molecule compound
1-(2,2-dimethyltetrahydro-2H-pyran-4-yl)-7-hydroxy-4-[2-(pyridin-2-ylmethoxy)phenyl]-1,2,4,6-tetrahydro-3H-pyrazolo[3,4-e][1,4]thiazepin-3-one
Catalog ID
STL410354
SMILES OC1=Nc2c(C(SC1)c1ccccc1OCc1ccccn1)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)13-17(10-12-33-25)29-23-21(24(31)28-29)22(34-15-20(30)27-23)18-8-3-4-9-19(18)32-14-16-7-5-6-11-26-16/h3-9,11,17,22H,10,12-15H2,1-2H3,(H,27,30)(H,28,31)InChIKey
FMTLGGBNNKIBGJ-UHFFFAOYSA-NSynonyms
1574464-60-01(22dimethyloxan4yl)4(2(pyridin2ylmethoxy)phenyl)48dihydro2Hpyrazolo(34e)(14)thiazepine37dione
1(22dimethyltetrahydro2Hpyran4yl)7hydroxy4(2(pyridin2ylmethoxy)phenyl)1246tetrahydro3Hpyrazolo(34e)(14)thiazepin3one
1574464600
CC1(CC(CCO1)N2C3=C(C(SCC(=O)N3)C4=CC=CC=C4OCC5=CC=CC=N5)C(=O)N2)C
InChI=1SC25H28N4O4Sc125(2)1317(10123325)292321(24(31)2829)22(341520(30)2723)18834919(18)321416756112616h39111722H101215H212H3(H2730)(H2831)
MFCD30706161
OC1=Nc2c(C(SC1)c1ccccc1OCc1ccccn1)c(=O)(nH)n2C1CCOC(C1)(C)C
ZINC000096117632
ZINC000096117635
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