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 4-chlorobenzoate
Catalog ID
STK384872
SMILES COc1cc(ccc1OC(=O)c1ccc(cc1)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 C25H23ClN2O4S MW 482.99 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H23ClN2O4S/c1-13-3-9-17-20(11-13)33-24-21(17)23(29)27-22(28-24)15-6-10-18(19(12-15)31-2)32-25(30)14-4-7-16(26)8-5-14/h4-8,10,12-13,22,28H,3,9,11H2,1-2H3,(H,27,29)InChIKey
GJHSOYDYVNSIIV-UHFFFAOYSA-NSynonyms
(2methoxy4(7methyl4oxo235678hexahydro1H(1)benzothiolo(23d)pyrimidin2yl)phenyl)4chlorobenzoate
4(4hydroxy7methyl125678hexahydro(1)benzothieno(23d)pyrimidin2yl)2methoxyphenyl4chlorobenzoate
CC1CCC2=C(C1)SC3=C2C(=O)NC(N3)C4=CC(=C(C=C4)OC(=O)C5=CC=C(C=C5)Cl)OC
InChI=1SC25H23ClN2O4Sc113391720(1113)332421(17)23(29)2722(2824)1561018(19(1215)312)3225(30)144716(26)8514h481012132228H3911H212H3(H2729)
MFCD11853336
ZINC000015947710
ZINC000015947715
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