Vitas-M small molecule compound
7-ethyl-2-[5-(2-nitrophenyl)furan-2-yl]-1,2,5,6,7,8-hexahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidin-4-ol
Catalog ID
STK384608
SMILES CCN1CCc2c(C1)sc1c2C(=NC(N1)c1ccc(o1)c1ccccc1[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 C21H20N4O4S MW 424.48 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H20N4O4S/c1-2-24-10-9-13-17(11-24)30-21-18(13)20(26)22-19(23-21)16-8-7-15(29-16)12-5-3-4-6-14(12)25(27)28/h3-8,19,23H,2,9-11H2,1H3,(H,22,26)InChIKey
IRRMBPAWXGFCAY-UHFFFAOYSA-NSynonyms
7ethyl2(5(2nitrophenyl)furan2yl)123568hexahydropyrido(23)thieno(24d)pyrimidin4one
7ethyl2(5(2nitrophenyl)furan2yl)125678hexahydropyrido(4345)thieno(23d)pyrimidin4ol
CCN1CCC2=C(C1)SC3=C2C(=O)NC(N3)C4=CC=C(O4)C5=CC=CC=C5(N+)(=O)(O)
CCN1CCc2c(C1)sc1c2C(=NC(N1)c1ccc(o1)c1ccccc1(N+)(=O)(O))O
InChI=1SC21H20N4O4Sc12241091317(1124)302118(13)20(26)2219(2321)168715(2916)12534614(12)25(27)28h381923H2911H21H3(H2226)
MFCD04966719
ZINC000008928045
ZINC000008928047
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