Vitas-M small molecule compound
7-methyl-2-[5-(2-methyl-4-nitrophenyl)furan-2-yl]-2,3,5,6,7,8-hexahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidin-4(1H)-one
Catalog ID
STK430963
SMILES CN1CCc2c(C1)sc1c2C(=O)NC(N1)c1ccc(o1)c1ccc(cc1C)[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 C21H20N4O4S MW 424.48 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H20N4O4S/c1-11-9-12(25(27)28)3-4-13(11)15-5-6-16(29-15)19-22-20(26)18-14-7-8-24(2)10-17(14)30-21(18)23-19/h3-6,9,19,23H,7-8,10H2,1-2H3,(H,22,26)InChIKey
ILHRDVLQTSGGNZ-UHFFFAOYSA-NSynonyms
438215-92-0438215920
7methyl2(5(2methyl4nitrophenyl)furan2yl)123568hexahydropyrido(23)thieno(24d)pyrimidin4one
7methyl2(5(2methyl4nitrophenyl)furan2yl)235678hexahydropyrido(4345)thieno(23d)pyrimidin4(1H)one
CC1=C(C=CC(=C1)(N+)(=O)(O))C2=CC=C(O2)C3NC4=C(C5=C(S4)CN(CC5)C)C(=O)N3
CN1CCc2c(C1)sc1c2C(=O)NC(N1)c1ccc(o1)c1ccc(cc1C)(N+)(=O)(O)
InChI=1SC21H20N4O4Sc111912(25(27)28)3413(11)155616(2915)192220(26)18147824(2)1017(14)3021(18)2319h3691923H7810H212H3(H2226)
MFCD03303992
ZINC000008994107
ZINC000008994108
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