Vitas-M small molecule compound
4-[4-hydroxy-7-(propan-2-yl)-1,2,5,6,7,8-hexahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidin-2-yl]-2-methoxyphenyl 4-chlorobenzoate
Catalog ID
STK384396
SMILES COc1cc(ccc1OC(=O)c1ccc(cc1)Cl)C1N=C(O)c2c(N1)sc1c2CCN(C1)C(C)C
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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 C26H26ClN3O4S MW 512.03 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H26ClN3O4S/c1-14(2)30-11-10-18-21(13-30)35-25-22(18)24(31)28-23(29-25)16-6-9-19(20(12-16)33-3)34-26(32)15-4-7-17(27)8-5-15/h4-9,12,14,23,29H,10-11,13H2,1-3H3,(H,28,31)InChIKey
RAEGGGVRFWEYEI-UHFFFAOYSA-NSynonyms
(2methoxy4(4oxo7propan2yl123568hexahydropyrido(23)thieno(24d)pyrimidin2yl)phenyl)4chlorobenzoate
4(4hydroxy7(propan2yl)125678hexahydropyrido(4345)thieno(23d)pyrimidin2yl)2methoxyphenyl4chlorobenzoate
CC(C)N1CCC2=C(C1)SC3=C2C(=O)NC(N3)C4=CC(=C(C=C4)OC(=O)C5=CC=C(C=C5)Cl)OC
InChI=1SC26H26ClN3O4Sc114(2)3011101821(1330)352522(18)24(31)2823(2925)166919(20(1216)333)3426(32)154717(27)8515h4912142329H101113H213H3(H2831)
MFCD04041581
ZINC000015947044
ZINC000015947046
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