Vitas-M small molecule compound
7-hydroxy-1-(tetrahydro-2H-thiopyran-4-yl)-4-(3,4,5-trimethoxyphenyl)-1,2,4,6-tetrahydro-3H-pyrazolo[3,4-e][1,4]thiazepin-3-one
Catalog ID
STL409486
SMILES COc1cc(cc(c1OC)OC)C1SCC(=Nc2c1c(=O)[nH]n2C1CCSCC1)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 C20H25N3O5S2 MW 451.57 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H25N3O5S2/c1-26-13-8-11(9-14(27-2)17(13)28-3)18-16-19(21-15(24)10-30-18)23(22-20(16)25)12-4-6-29-7-5-12/h8-9,12,18H,4-7,10H2,1-3H3,(H,21,24)(H,22,25)InChIKey
BPERVBKUSRVNOK-UHFFFAOYSA-NSynonyms
1574528-58-71(thian4yl)4(345trimethoxyphenyl)48dihydro2Hpyrazolo(34e)(14)thiazepine37dione
1574528587
7hydroxy1(tetrahydro2Hthiopyran4yl)4(345trimethoxyphenyl)1246tetrahydro3Hpyrazolo(34e)(14)thiazepin3one
COC1=CC(=CC(=C1OC)OC)C2C3=C(NC(=O)CS2)N(NC3=O)C4CCSCC4
COc1cc(cc(c1OC)OC)C1SCC(=Nc2c1c(=O)(nH)n2C1CCSCC1)O
InChI=1SC20H25N3O5S2c12613811(914(272)17(13)283)181619(2115(24)103018)23(2220(16)25)1246297512h891218H4710H213H3(H2124)(H2225)
MFCD30705739
ZINC000096118266
ZINC000096118267
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