Vitas-M small molecule compound
8-(4-hydroxy-3,5-dimethoxyphenyl)-1-(3-methoxyphenyl)-6,8-dihydro-1H-imidazo[4,5-e][1,4]thiazepin-5-ol
Catalog ID
STL315670
SMILES COc1cccc(c1)n1cnc2c1C(SCC(=N2)O)c1cc(OC)c(c(c1)OC)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 C21H21N3O5S MW 427.48 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H21N3O5S/c1-27-14-6-4-5-13(9-14)24-11-22-21-18(24)20(30-10-17(25)23-21)12-7-15(28-2)19(26)16(8-12)29-3/h4-9,11,20,26H,10H2,1-3H3,(H,23,25)InChIKey
OGIBONGQBAIVJE-UHFFFAOYSA-NSynonyms
1435905-05-71435905057
8(4hydroxy35dimethoxyphenyl)1(3methoxyphenyl)48dihydroimidazo(45e)(14)thiazepin5one
8(4hydroxy35dimethoxyphenyl)1(3methoxyphenyl)68dihydro1Himidazo(45e)(14)thiazepin5ol
COC1=CC=CC(=C1)N2C=NC3=C2C(SCC(=O)N3)C4=CC(=C(C(=C4)OC)O)OC
InChI=1SC21H21N3O5Sc1271464513(914)2411222118(24)20(301017(25)2321)12715(282)19(26)16(812)293h49112026H10H213H3(H2325)
MFCD28027392
ZINC000095477224
ZINC000095477225
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