Vitas-M small molecule compound
2-{3-ethoxy-4-[(2-nitrobenzyl)oxy]phenyl}-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one
Catalog ID
STL297274
SMILES CCOc1cc(ccc1OCc1ccccc1[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 C25H23N3O5S MW 477.54 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H23N3O5S/c1-2-32-20-13-15(11-12-19(20)33-14-16-7-3-5-9-18(16)28(30)31)23-26-24(29)22-17-8-4-6-10-21(17)34-25(22)27-23/h3,5,7,9,11-13H,2,4,6,8,10,14H2,1H3,(H,26,27,29)InChIKey
KIPSTOZOZVEFDZ-UHFFFAOYSA-NSynonyms
2(3ethoxy4((2nitrobenzyl)oxy)phenyl)5678tetrahydro(1)benzothieno(23d)pyrimidin4(3H)one
2(3ethoxy4((2nitrophenyl)methoxy)phenyl)5678tetrahydro3H(1)benzothiolo(23d)pyrimidin4one
CCOC1=C(C=CC(=C1)C2=NC3=C(C4=C(S3)CCCC4)C(=O)N2)OCC5=CC=CC=C5(N+)(=O)(O)
CCOc1cc(ccc1OCc1ccccc1(N+)(=O)(O))c1nc2sc3c(c2c(=O)(nH)1)CCCC3
InChI=1SC25H23N3O5Sc1232201315(111219(20)331416735918(16)28(30)31)232624(29)22178461021(17)3425(22)2723h35791113H24681014H21H3(H262729)
MFCD05987702
ZINC000002846964
ZINC02846964
ZINC2846964
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