Vitas-M small molecule compound
4-(4-hydroxy-1,2,5,6,7,8-hexahydro[1]benzothieno[2,3-d]pyrimidin-2-yl)-2-methoxyphenyl 4-methoxybenzoate
Catalog ID
STK394253
SMILES COc1ccc(cc1)C(=O)Oc1ccc(cc1OC)C1N=C(O)c2c(N1)sc1c2CCCC1
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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 C25H24N2O5S MW 464.54 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H24N2O5S/c1-30-16-10-7-14(8-11-16)25(29)32-18-12-9-15(13-19(18)31-2)22-26-23(28)21-17-5-3-4-6-20(17)33-24(21)27-22/h7-13,22,27H,3-6H2,1-2H3,(H,26,28)InChIKey
VTLSCYIPDCRSOI-UHFFFAOYSA-NSynonyms
(2methoxy4(4oxo235678hexahydro1H(1)benzothiolo(23d)pyrimidin2yl)phenyl)4methoxybenzoate
4(4hydroxy125678hexahydro(1)benzothieno(23d)pyrimidin2yl)2methoxyphenyl4methoxybenzoate
COC1=CC=C(C=C1)C(=O)OC2=C(C=C(C=C2)C3NC4=C(C5=C(S4)CCCC5)C(=O)N3)OC
InChI=1SC25H24N2O5Sc1301610714(81116)25(29)321812915(1319(18)312)222623(28)2117534620(17)3324(21)2722h7132227H36H212H3(H2628)
MFCD03037218
ZINC000015945357
ZINC000015945359
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