Vitas-M small molecule compound
7-hydroxy-4-[2-(pyridin-2-ylmethoxy)phenyl]-1-(tetrahydro-2H-thiopyran-4-yl)-1,2,4,6-tetrahydro-3H-pyrazolo[3,4-e][1,4]thiazepin-3-one
Catalog ID
STL409092
SMILES OC1=Nc2c(C(SC1)c1ccccc1OCc1ccccn1)c(=O)[nH]n2C1CCSCC1
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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 C23H24N4O3S2 MW 468.60 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H24N4O3S2/c28-19-14-32-21(17-6-1-2-7-18(17)30-13-15-5-3-4-10-24-15)20-22(25-19)27(26-23(20)29)16-8-11-31-12-9-16/h1-7,10,16,21H,8-9,11-14H2,(H,25,28)(H,26,29)InChIKey
QMAAMVOBAHESGP-UHFFFAOYSA-NSynonyms
1574464-95-11574464951
4(2(pyridin2ylmethoxy)phenyl)1(thian4yl)48dihydro2Hpyrazolo(34e)(14)thiazepine37dione
7hydroxy4(2(pyridin2ylmethoxy)phenyl)1(tetrahydro2Hthiopyran4yl)1246tetrahydro3Hpyrazolo(34e)(14)thiazepin3one
C1CSCCC1N2C3=C(C(SCC(=O)N3)C4=CC=CC=C4OCC5=CC=CC=N5)C(=O)N2
InChI=1SC23H24N4O3S2c2819143221(17612718(17)301315534102415)2022(2519)27(2623(20)29)168113112916h17101621H891114H2(H2528)(H2629)
MFCD30705527
OC1=Nc2c(C(SC1)c1ccccc1OCc1ccccn1)c(=O)(nH)n2C1CCSCC1
ZINC000096116769
ZINC000096116770
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