Vitas-M small molecule compound
2-ethoxy-4-(4-hydroxy-7-methyl-1,2,5,6,7,8-hexahydro[1]benzothieno[2,3-d]pyrimidin-2-yl)phenyl 4-fluorobenzoate
Catalog ID
STK384843
SMILES CCOc1cc(ccc1OC(=O)c1ccc(cc1)F)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 C26H25FN2O4S MW 480.56 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H25FN2O4S/c1-3-32-20-13-16(7-11-19(20)33-26(31)15-5-8-17(27)9-6-15)23-28-24(30)22-18-10-4-14(2)12-21(18)34-25(22)29-23/h5-9,11,13-14,23,29H,3-4,10,12H2,1-2H3,(H,28,30)InChIKey
DMSSDKRHDFHYSA-UHFFFAOYSA-NSynonyms
(2ethoxy4(7methyl4oxo235678hexahydro1H(1)benzothiolo(23d)pyrimidin2yl)phenyl)4fluorobenzoate
2ethoxy4(4hydroxy7methyl125678hexahydro(1)benzothieno(23d)pyrimidin2yl)phenyl4fluorobenzoate
CCOC1=C(C=CC(=C1)C2NC3=C(C4=C(S3)CC(CC4)C)C(=O)N2)OC(=O)C5=CC=C(C=C5)F
InChI=1SC26H25FN2O4Sc1332201316(71119(20)3326(31)155817(27)9615)232824(30)221810414(2)1221(18)3425(22)2923h591113142329H341012H212H3(H2830)
MFCD11853307
ZINC000015947614
ZINC000015947620
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