Vitas-M small molecule compound
ethyl 2-[(Z)-2-(2-nitrophenyl)ethenyl]-4-oxo-1,3,4,5,6,8-hexahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidine-7(2H)-carboxylate
Catalog ID
STK384020
SMILES CCOC(=O)N1CCc2c(C1)sc1c2C(=O)NC(N1)/C=C\c1ccccc1[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 C20H20N4O5S MW 428.47 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H20N4O5S/c1-2-29-20(26)23-10-9-13-15(11-23)30-19-17(13)18(25)21-16(22-19)8-7-12-5-3-4-6-14(12)24(27)28/h3-8,16,22H,2,9-11H2,1H3,(H,21,25)/b8-7-InChIKey
YDQZASDIFITNCK-FPLPWBNLSA-NSynonyms
CCOC(=O)N1CCC2=C(C1)SC3=C2C(=O)NC(N3)C=CC4=CC=CC=C4(N+)(=O)(O)
CCOC(=O)N1CCc2c(C1)sc1c2C(=O)NC(N1)C=Cc1ccccc1(N+)(=O)(O)
ethyl2((Z)2(2nitrophenyl)ethenyl)4oxo123568hexahydropyrido(23)thieno(24d)pyrimidine7carboxylate
ethyl2((Z)2(2nitrophenyl)ethenyl)4oxo134568hexahydropyrido(4345)thieno(23d)pyrimidine7(2H)carboxylate
InChI=1SC20H20N4O5Sc122920(26)231091315(1123)301917(13)18(25)2116(2219)8712534614(12)24(27)28h381622H2911H21H3(H2125)b87
MFCD03837198
ZINC000008921410
ZINC000008921415
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