Vitas-M small molecule compound
2-ethoxy-4-[4-hydroxy-7-(propan-2-yl)-1,2,5,6,7,8-hexahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidin-2-yl]phenyl thiophene-2-carboxylate
Catalog ID
STK384370
SMILES CCOc1cc(ccc1OC(=O)c1cccs1)C1N=C(O)c2c(N1)sc1c2CCN(C1)C(C)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 C25H27N3O4S2 MW 497.64 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H27N3O4S2/c1-4-31-18-12-15(7-8-17(18)32-25(30)19-6-5-11-33-19)22-26-23(29)21-16-9-10-28(14(2)3)13-20(16)34-24(21)27-22/h5-8,11-12,14,22,27H,4,9-10,13H2,1-3H3,(H,26,29)InChIKey
ACPAXFXCAQQBHA-UHFFFAOYSA-NSynonyms
(2ethoxy4(4oxo7propan2yl123568hexahydropyrido(23)thieno(24d)pyrimidin2yl)phenyl)thiophene2carboxylate
2ethoxy4(4hydroxy7(propan2yl)125678hexahydropyrido(4345)thieno(23d)pyrimidin2yl)phenylthiophene2carboxylate
CCOC1=C(C=CC(=C1)C2NC3=C(C4=C(S3)CN(CC4)C(C)C)C(=O)N2)OC(=O)C5=CC=CS5
InChI=1SC25H27N3O4S2c1431181215(7817(18)3225(30)1965113319)222623(29)211691028(14(2)3)1320(16)3424(21)2722h581112142227H491013H213H3(H2629)
MFCD04041554
ZINC000008923411
ZINC000008923415
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