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]phenyl 2,4-dichlorobenzoate
Catalog ID
STK383890
SMILES CCC(C1CCc2c(C1)sc1c2C(=NC(N1)c1ccc(cc1)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 C28H28Cl2N2O3S MW 543.51 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H28Cl2N2O3S/c1-4-28(2,3)16-7-11-20-22(13-16)36-26-23(20)25(33)31-24(32-26)15-5-9-18(10-6-15)35-27(34)19-12-8-17(29)14-21(19)30/h5-6,8-10,12,14,16,24,32H,4,7,11,13H2,1-3H3,(H,31,33)InChIKey
QGSIUMXPIUOBPB-UHFFFAOYSA-NSynonyms
(4(7(2methylbutan2yl)4oxo235678hexahydro1H(1)benzothiolo(23d)pyrimidin2yl)phenyl)24dichlorobenzoate
4(4hydroxy7(2methylbutan2yl)125678hexahydro(1)benzothieno(23d)pyrimidin2yl)phenyl24dichlorobenzoate
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
InChI=1SC28H28Cl2N2O3Sc1428(23)167112022(1316)362623(20)25(33)3124(3226)155918(10615)3527(34)1912817(29)1421(19)30h568101214162432H471113H213H3(H3133)
MFCD03848767
ZINC000101321649
ZINC000101321658
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