Vitas-M small molecule compound
ethyl 2-[4-(2,4-dinitrophenoxy)-3-methoxyphenyl]-4-hydroxy-1,5,6,8-tetrahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidine-7(2H)-carboxylate
Catalog ID
STK384061
SMILES CCOC(=O)N1CCc2c(C1)sc1c2C(=NC(N1)c1ccc(c(c1)OC)Oc1ccc(cc1[N+](=O)[O-])[N+](=O)[O-])O
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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 C25H23N5O9S MW 569.55 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H23N5O9S/c1-3-38-25(32)28-9-8-15-20(12-28)40-24-21(15)23(31)26-22(27-24)13-4-6-18(19(10-13)37-2)39-17-7-5-14(29(33)34)11-16(17)30(35)36/h4-7,10-11,22,27H,3,8-9,12H2,1-2H3,(H,26,31)InChIKey
BOJWIJXYDNXOAA-UHFFFAOYSA-NSynonyms
CCOC(=O)N1CCC2=C(C1)SC3=C2C(=O)NC(N3)C4=CC(=C(C=C4)OC5=C(C=C(C=C5)(N+)(=O)(O))(N+)(=O)(O))OC
CCOC(=O)N1CCc2c(C1)sc1c2C(=NC(N1)c1ccc(c(c1)OC)Oc1ccc(cc1(N+)(=O)(O))(N+)(=O)(O))O
ethyl2(4(24dinitrophenoxy)3methoxyphenyl)4hydroxy1568tetrahydropyrido(4345)thieno(23d)pyrimidine7(2H)carboxylate
ethyl2(4(24dinitrophenoxy)3methoxyphenyl)4oxo123568hexahydropyrido(23)thieno(24d)pyrimidine7carboxylate
InChI=1SC25H23N5O9Sc133825(32)28981520(1228)402421(15)23(31)2622(2724)134618(19(1013)372)39177514(29(33)34)1116(17)30(35)36h4710112227H38912H212H3(H2631)
MFCD03837338
ZINC000102156469
ZINC000102156474
Check stock
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Check stock on Vitas-MAvailable files
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