Vitas-M small molecule compound
ethyl 2-(4-nitrophenyl)-4-oxo-1,3,4,5,6,8-hexahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidine-7(2H)-carboxylate
Catalog ID
STK381285
SMILES CCOC(=O)N1CCc2c(C1)sc1c2C(=O)NC(N1)c1ccc(cc1)[N+](=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 C18H18N4O5S MW 402.43 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H18N4O5S/c1-2-27-18(24)21-8-7-12-13(9-21)28-17-14(12)16(23)19-15(20-17)10-3-5-11(6-4-10)22(25)26/h3-6,15,20H,2,7-9H2,1H3,(H,19,23)InChIKey
HKLSMQSGRDVJLY-UHFFFAOYSA-NSynonyms
CCOC(=O)N1CCC2=C(C1)SC3=C2C(=O)NC(N3)C4=CC=C(C=C4)(N+)(=O)(O)
CCOC(=O)N1CCc2c(C1)sc1c2C(=O)NC(N1)c1ccc(cc1)(N+)(=O)(O)
ethyl2(4nitrophenyl)4oxo123568hexahydropyrido(23)thieno(24d)pyrimidine7carboxylate
ethyl2(4nitrophenyl)4oxo134568hexahydropyrido(4345)thieno(23d)pyrimidine7(2H)carboxylate
InChI=1SC18H18N4O5Sc122718(24)21871213(921)281714(12)16(23)1915(2017)103511(6410)22(25)26h361520H279H21H3(H1923)
MFCD02315127
ZINC000004524987
ZINC000004524989
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