Vitas-M small molecule compound
4-[4-hydroxy-7-(2-methylbutan-2-yl)-1,2,5,6,7,8-hexahydro[1]benzothieno[2,3-d]pyrimidin-2-yl]-2-methoxyphenyl 4-chlorobenzoate
Catalog ID
STK383889
SMILES CCC(C1CCc2c(C1)sc1c2C(=NC(N1)c1ccc(c(c1)OC)OC(=O)c1ccc(cc1)Cl)O)(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 C29H31ClN2O4S MW 539.09 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H31ClN2O4S/c1-5-29(2,3)18-9-12-20-23(15-18)37-27-24(20)26(33)31-25(32-27)17-8-13-21(22(14-17)35-4)36-28(34)16-6-10-19(30)11-7-16/h6-8,10-11,13-14,18,25,32H,5,9,12,15H2,1-4H3,(H,31,33)InChIKey
HJFWUQIOXKKVHH-UHFFFAOYSA-NSynonyms
(2methoxy4(7(2methylbutan2yl)4oxo235678hexahydro1H(1)benzothiolo(23d)pyrimidin2yl)phenyl)4chlorobenzoate
4(4hydroxy7(2methylbutan2yl)125678hexahydro(1)benzothieno(23d)pyrimidin2yl)2methoxyphenyl4chlorobenzoate
CCC(C)(C)C1CCC2=C(C1)SC3=C2C(=O)NC(N3)C4=CC(=C(C=C4)OC(=O)C5=CC=C(C=C5)Cl)OC
InChI=1SC29H31ClN2O4Sc1529(23)189122023(1518)372724(20)26(33)3125(3227)1781321(22(1417)354)3628(34)1661019(30)11716h6810111314182532H591215H214H3(H3133)
MFCD03848766
ZINC000100913789
ZINC000100913793
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