Vitas-M small molecule compound
ethyl 2-(4-methoxy-3-nitrophenyl)-4-oxo-1,3,4,5,6,8-hexahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidine-7(2H)-carboxylate
Catalog ID
STK382096
SMILES CCOC(=O)N1CCc2c(C1)sc1c2C(=O)NC(N1)c1ccc(c(c1)[N+](=O)[O-])OC
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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 C19H20N4O6S MW 432.46 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H20N4O6S/c1-3-29-19(25)22-7-6-11-14(9-22)30-18-15(11)17(24)20-16(21-18)10-4-5-13(28-2)12(8-10)23(26)27/h4-5,8,16,21H,3,6-7,9H2,1-2H3,(H,20,24)InChIKey
KHKNIJAPCFEGBA-UHFFFAOYSA-NSynonyms
CCOC(=O)N1CCC2=C(C1)SC3=C2C(=O)NC(N3)C4=CC(=C(C=C4)OC)(N+)(=O)(O)
CCOC(=O)N1CCc2c(C1)sc1c2C(=O)NC(N1)c1ccc(c(c1)(N+)(=O)(O))OC
ethyl2(4methoxy3nitrophenyl)4oxo123568hexahydropyrido(23)thieno(24d)pyrimidine7carboxylate
ethyl2(4methoxy3nitrophenyl)4oxo134568hexahydropyrido(4345)thieno(23d)pyrimidine7(2H)carboxylate
InChI=1SC19H20N4O6Sc132919(25)22761114(922)301815(11)17(24)2016(2118)104513(282)12(810)23(26)27h4581621H3679H212H3(H2024)
MFCD02915408
ZINC000008722318
ZINC000008722319
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