Vitas-M small molecule compound
7-hydroxy-1-(tetrahydro-2H-pyran-4-yl)-4-(2,4,5-trimethoxyphenyl)-1,2,4,6-tetrahydro-3H-pyrazolo[3,4-e][1,4]thiazepin-3-one
Catalog ID
STL311780
SMILES COc1cc(OC)c(cc1C1SCC(=Nc2c1c(=O)[nH]n2C1CCOCC1)O)OC
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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 C20H25N3O6S MW 435.50 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H25N3O6S/c1-26-13-9-15(28-3)14(27-2)8-12(13)18-17-19(21-16(24)10-30-18)23(22-20(17)25)11-4-6-29-7-5-11/h8-9,11,18H,4-7,10H2,1-3H3,(H,21,24)(H,22,25)InChIKey
GGVFJOIPBZWNQC-UHFFFAOYSA-NSynonyms
1574379-68-21(oxan4yl)4(245trimethoxyphenyl)48dihydro2Hpyrazolo(34e)(14)thiazepine37dione
1574379682
7hydroxy1(tetrahydro2Hpyran4yl)4(245trimethoxyphenyl)1246tetrahydro3Hpyrazolo(34e)(14)thiazepin3one
COC1=CC(=C(C=C1C2C3=C(NC(=O)CS2)N(NC3=O)C4CCOCC4)OC)OC
COc1cc(OC)c(cc1C1SCC(=Nc2c1c(=O)(nH)n2C1CCOCC1)O)OC
InChI=1SC20H25N3O6Sc12613915(283)14(272)812(13)181719(2116(24)103018)23(2220(17)25)1146297511h891118H4710H213H3(H2124)(H2225)
MFCD28026288
ZINC000095474291
ZINC000095474292
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