Vitas-M small molecule compound
4-(3,4-dimethoxyphenyl)-1-(2,2-dimethyltetrahydro-2H-pyran-4-yl)-7-hydroxy-1,2,4,6-tetrahydro-3H-pyrazolo[3,4-e][1,4]thiazepin-3-one
Catalog ID
STL410013
SMILES COc1cc(ccc1OC)C1SCC(=Nc2c1c(=O)[nH]n2C1CCOC(C1)(C)C)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 C21H27N3O5S MW 433.53 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H27N3O5S/c1-21(2)10-13(7-8-29-21)24-19-17(20(26)23-24)18(30-11-16(25)22-19)12-5-6-14(27-3)15(9-12)28-4/h5-6,9,13,18H,7-8,10-11H2,1-4H3,(H,22,25)(H,23,26)InChIKey
IXCIPJWUUATRFN-UHFFFAOYSA-NSynonyms
1574484-76-61574484766
4(34dimethoxyphenyl)1(22dimethyloxan4yl)48dihydro2Hpyrazolo(34e)(14)thiazepine37dione
4(34dimethoxyphenyl)1(22dimethyltetrahydro2Hpyran4yl)7hydroxy1246tetrahydro3Hpyrazolo(34e)(14)thiazepin3one
CC1(CC(CCO1)N2C3=C(C(SCC(=O)N3)C4=CC(=C(C=C4)OC)OC)C(=O)N2)C
COc1cc(ccc1OC)C1SCC(=Nc2c1c(=O)(nH)n2C1CCOC(C1)(C)C)O
InChI=1SC21H27N3O5Sc121(2)1013(782921)241917(20(26)2324)18(301116(25)2219)125614(273)15(912)284h5691318H781011H214H3(H2225)(H2326)
MFCD30705994
ZINC000096116704
ZINC000096116707
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