Vitas-M small molecule compound
2-{3-ethoxy-4-[2-(4-nitrophenoxy)ethoxy]phenyl}-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one
Catalog ID
STK385443
SMILES CCOc1cc(ccc1OCCOc1ccc(cc1)[N+](=O)[O-])c1nc2sc3c(c2c(=O)[nH]1)CCCC3
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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 C26H25N3O6S MW 507.57 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H25N3O6S/c1-2-33-21-15-16(24-27-25(30)23-19-5-3-4-6-22(19)36-26(23)28-24)7-12-20(21)35-14-13-34-18-10-8-17(9-11-18)29(31)32/h7-12,15H,2-6,13-14H2,1H3,(H,27,28,30)InChIKey
CTAJBOLDMDJLIA-UHFFFAOYSA-NSynonyms
2(3ethoxy4(2(4nitrophenoxy)ethoxy)phenyl)5678tetrahydro(1)benzothieno(23d)pyrimidin4(3H)one
2(3ethoxy4(2(4nitrophenoxy)ethoxy)phenyl)5678tetrahydro3H(1)benzothiolo(23d)pyrimidin4one
2(3ethoxy4(2(4nitrophenoxy)ethoxy)phenyl)5678tetrahydrobenzo(45)thieno(23d)pyrimidin4(3H)one
CCOC1=C(C=CC(=C1)C2=NC3=C(C4=C(S3)CCCC4)C(=O)N2)OCCOC5=CC=C(C=C5)(N+)(=O)(O)
CCOc1cc(ccc1OCCOc1ccc(cc1)(N+)(=O)(O))c1nc2sc3c(c2c(=O)(nH)1)CCCC3
InChI=1SC26H25N3O6Sc1233211516(242725(30)2319534622(19)3626(23)2824)71220(21)351413341810817(91118)29(31)32h71215H261314H21H3(H272830)
MFCD02067652
ZINC000017124672
ZINC17124672
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