Vitas-M small molecule compound
7-ethyl-2-(4-methoxy-3-nitrophenyl)-1,2,5,6,7,8-hexahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidin-4-ol
Catalog ID
STK384524
SMILES CCN1CCc2c(C1)sc1c2C(=NC(N1)c1ccc(c(c1)[N+](=O)[O-])OC)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 C18H20N4O4S MW 388.45 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H20N4O4S/c1-3-21-7-6-11-14(9-21)27-18-15(11)17(23)19-16(20-18)10-4-5-13(26-2)12(8-10)22(24)25/h4-5,8,16,20H,3,6-7,9H2,1-2H3,(H,19,23)InChIKey
IADGZEUTZGZRPG-UHFFFAOYSA-NSynonyms
7ethyl2(4methoxy3nitrophenyl)123568hexahydropyrido(23)thieno(24d)pyrimidin4one
7ethyl2(4methoxy3nitrophenyl)125678hexahydropyrido(4345)thieno(23d)pyrimidin4ol
CCN1CCC2=C(C1)SC3=C2C(=O)NC(N3)C4=CC(=C(C=C4)OC)(N+)(=O)(O)
CCN1CCc2c(C1)sc1c2C(=NC(N1)c1ccc(c(c1)(N+)(=O)(O))OC)O
InChI=1SC18H20N4O4Sc1321761114(921)271815(11)17(23)1916(2018)104513(262)12(810)22(24)25h4581620H3679H212H3(H1923)
MFCD04042204
ZINC000004556147
ZINC000004556148
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