Vitas-M small molecule compound
2-methoxy-4-(4-oxo-1,2,3,4,5,6,7,8-octahydro[1]benzothieno[2,3-d]pyrimidin-2-yl)phenyl 4-methylbenzoate
Catalog ID
STK382635
SMILES COc1cc(ccc1OC(=O)c1ccc(cc1)C)C1NC(=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 C25H24N2O4S MW 448.54 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H24N2O4S/c1-14-7-9-15(10-8-14)25(29)31-18-12-11-16(13-19(18)30-2)22-26-23(28)21-17-5-3-4-6-20(17)32-24(21)27-22/h7-13,22,27H,3-6H2,1-2H3,(H,26,28)InChIKey
DJNLNGTTYFWUAH-UHFFFAOYSA-NSynonyms
(2methoxy4(4oxo235678hexahydro1H(1)benzothiolo(23d)pyrimidin2yl)phenyl)4methylbenzoate
2methoxy4(4oxo12345678octahydro(1)benzothieno(23d)pyrimidin2yl)phenyl4methylbenzoate
CC1=CC=C(C=C1)C(=O)OC2=C(C=C(C=C2)C3NC4=C(C5=C(S4)CCCC5)C(=O)N3)OC
InChI=1SC25H24N2O4Sc1147915(10814)25(29)3118121116(1319(18)302)222623(28)2117534620(17)3224(21)2722h7132227H36H212H3(H2628)
MFCD03037627
ZINC000015945282
ZINC000015945284
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