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 2,4-dichlorobenzoate
Catalog ID
STK383891
SMILES CCC(C1CCc2c(C1)sc1c2C(=NC(N1)c1ccc(c(c1)OC)OC(=O)c1ccc(cc1Cl)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 C29H30Cl2N2O4S MW 573.54 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H30Cl2N2O4S/c1-5-29(2,3)16-7-9-19-23(13-16)38-27-24(19)26(34)32-25(33-27)15-6-11-21(22(12-15)36-4)37-28(35)18-10-8-17(30)14-20(18)31/h6,8,10-12,14,16,25,33H,5,7,9,13H2,1-4H3,(H,32,34)InChIKey
INXLOFRRKYUXSO-UHFFFAOYSA-NSynonyms
(2methoxy4(7(2methylbutan2yl)4oxo235678hexahydro1H(1)benzothiolo(23d)pyrimidin2yl)phenyl)24dichlorobenzoate
4(4hydroxy7(2methylbutan2yl)125678hexahydro(1)benzothieno(23d)pyrimidin2yl)2methoxyphenyl24dichlorobenzoate
CCC(C)(C)C1CCC2=C(C1)SC3=C2C(=O)NC(N3)C4=CC(=C(C=C4)OC(=O)C5=C(C=C(C=C5)Cl)Cl)OC
InChI=1SC29H30Cl2N2O4Sc1529(23)16791923(1316)382724(19)26(34)3225(3327)1561121(22(1215)364)3728(35)1810817(30)1420(18)31h68101214162533H57913H214H3(H3234)
MFCD03848768
ZINC000100913817
ZINC000100913821
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