Vitas-M small molecule compound
ethyl 4-hydroxy-2-[(Z)-2-(3-nitrophenyl)ethenyl]-1,5,6,8-tetrahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidine-7(2H)-carboxylate
Catalog ID
STK383979
SMILES CCOC(=O)N1CCc2c(C1)sc1c2C(=NC(N1)/C=C\c1cccc(c1)[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 C20H20N4O5S MW 428.47 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H20N4O5S/c1-2-29-20(26)23-9-8-14-15(11-23)30-19-17(14)18(25)21-16(22-19)7-6-12-4-3-5-13(10-12)24(27)28/h3-7,10,16,22H,2,8-9,11H2,1H3,(H,21,25)/b7-6-InChIKey
CMCJUFFUQMCGIU-SREVYHEPSA-NSynonyms
CCOC(=O)N1CCC2=C(C1)SC3=C2C(=O)NC(N3)C=CC4=CC(=CC=C4)(N+)(=O)(O)
CCOC(=O)N1CCc2c(C1)sc1c2C(=NC(N1)C=Cc1cccc(c1)(N+)(=O)(O))O
ethyl2((Z)2(3nitrophenyl)ethenyl)4oxo123568hexahydropyrido(23)thieno(24d)pyrimidine7carboxylate
ethyl4hydroxy2((Z)2(3nitrophenyl)ethenyl)1568tetrahydropyrido(4345)thieno(23d)pyrimidine7(2H)carboxylate
InChI=1SC20H20N4O5Sc122920(26)23981415(1123)301917(14)18(25)2116(2219)761243513(1012)24(27)28h37101622H28911H21H3(H2125)b76
MFCD03837115
ZINC000008921160
ZINC000008921166
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