Vitas-M small molecule compound
4-(4-hydroxy-7-methyl-1,2,5,6,7,8-hexahydro[1]benzothieno[2,3-d]pyrimidin-2-yl)-2-methoxyphenyl 2,4-dichlorobenzoate
Catalog ID
STK384874
SMILES COc1cc(ccc1OC(=O)c1ccc(cc1Cl)Cl)C1N=C(O)c2c(N1)sc1c2CCC(C1)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 C25H22Cl2N2O4S MW 517.43 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H22Cl2N2O4S/c1-12-3-6-16-20(9-12)34-24-21(16)23(30)28-22(29-24)13-4-8-18(19(10-13)32-2)33-25(31)15-7-5-14(26)11-17(15)27/h4-5,7-8,10-12,22,29H,3,6,9H2,1-2H3,(H,28,30)InChIKey
LIDYEYKNWKYFNB-UHFFFAOYSA-NSynonyms
(2methoxy4(7methyl4oxo235678hexahydro1H(1)benzothiolo(23d)pyrimidin2yl)phenyl)24dichlorobenzoate
4(4hydroxy7methyl125678hexahydro(1)benzothieno(23d)pyrimidin2yl)2methoxyphenyl24dichlorobenzoate
CC1CCC2=C(C1)SC3=C2C(=O)NC(N3)C4=CC(=C(C=C4)OC(=O)C5=C(C=C(C=C5)Cl)Cl)OC
InChI=1SC25H22Cl2N2O4Sc112361620(912)342421(16)23(30)2822(2924)134818(19(1013)322)3325(31)157514(26)1117(15)27h457810122229H369H212H3(H2830)
MFCD11853338
ZINC000015947725
ZINC000015947732
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