Vitas-M small molecule compound
ethyl 2-[4-(2,4-dinitrophenoxy)-3-ethoxyphenyl]-4-hydroxy-1,5,6,8-tetrahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidine-7(2H)-carboxylate
Catalog ID
STK384062
SMILES CCOc1cc(ccc1Oc1ccc(cc1[N+](=O)[O-])[N+](=O)[O-])C1N=C(O)c2c(N1)sc1c2CCN(C1)C(=O)OCC
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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 C26H25N5O9S MW 583.58 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H25N5O9S/c1-3-38-20-11-14(5-7-19(20)40-18-8-6-15(30(34)35)12-17(18)31(36)37)23-27-24(32)22-16-9-10-29(26(33)39-4-2)13-21(16)41-25(22)28-23/h5-8,11-12,23,28H,3-4,9-10,13H2,1-2H3,(H,27,32)InChIKey
SCTXPQQEQVFLMR-UHFFFAOYSA-NSynonyms
CCOC1=C(C=CC(=C1)C2NC3=C(C4=C(S3)CN(CC4)C(=O)OCC)C(=O)N2)OC5=C(C=C(C=C5)(N+)(=O)(O))(N+)(=O)(O)
CCOc1cc(ccc1Oc1ccc(cc1(N+)(=O)(O))(N+)(=O)(O))C1N=C(O)c2c(N1)sc1c2CCN(C1)C(=O)OCC
ethyl2(4(24dinitrophenoxy)3ethoxyphenyl)4hydroxy1568tetrahydropyrido(4345)thieno(23d)pyrimidine7(2H)carboxylate
ethyl2(4(24dinitrophenoxy)3ethoxyphenyl)4oxo123568hexahydropyrido(23)thieno(24d)pyrimidine7carboxylate
InChI=1SC26H25N5O9Sc1338201114(5719(20)40188615(30(34)35)1217(18)31(36)37)232724(32)221691029(26(33)3942)1321(16)4125(22)2823h5811122328H3491013H212H3(H2732)
MFCD03837339
ZINC000102156479
ZINC000102156484
Check stock
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Check stock on Vitas-MAvailable files
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