Vitas-M small molecule compound
4-[3-(benzyloxy)phenyl]-7-hydroxy-1-(tetrahydro-2H-thiopyran-4-yl)-1,2,4,6-tetrahydro-3H-pyrazolo[3,4-e][1,4]thiazepin-3-one
Catalog ID
STL410088
SMILES OC1=Nc2c(C(SC1)c1cccc(c1)OCc1ccccc1)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 C24H25N3O3S2 MW 467.61 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H25N3O3S2/c28-20-15-32-22(17-7-4-8-19(13-17)30-14-16-5-2-1-3-6-16)21-23(25-20)27(26-24(21)29)18-9-11-31-12-10-18/h1-8,13,18,22H,9-12,14-15H2,(H,25,28)(H,26,29)InChIKey
DKNBIFZSWJYVFE-UHFFFAOYSA-NSynonyms
1574473-64-51574473645
4(3(benzyloxy)phenyl)7hydroxy1(tetrahydro2Hthiopyran4yl)1246tetrahydro3Hpyrazolo(34e)(14)thiazepin3one
4(3phenylmethoxyphenyl)1(thian4yl)48dihydro2Hpyrazolo(34e)(14)thiazepine37dione
C1CSCCC1N2C3=C(C(SCC(=O)N3)C4=CC(=CC=C4)OCC5=CC=CC=C5)C(=O)N2
InChI=1SC24H25N3O3S2c2820153222(1774819(1317)3014165213616)2123(2520)27(2624(21)29)1891131121018h18131822H9121415H2(H2528)(H2629)
MFCD30706028
OC1=Nc2c(C(SC1)c1cccc(c1)OCc1ccccc1)c(=O)(nH)n2C1CCSCC1
ZINC000096118223
ZINC000096118224
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