Vitas-M small molecule compound
ethyl 4-hydroxy-2-(4-hydroxy-3-methoxy-5-nitrophenyl)-1,5,6,8-tetrahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidine-7(2H)-carboxylate
Catalog ID
STK383950
SMILES CCOC(=O)N1CCc2c(C1)sc1c2C(=NC(N1)c1cc(OC)c(c(c1)[N+](=O)[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 C19H20N4O7S MW 448.46 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H20N4O7S/c1-3-30-19(26)22-5-4-10-13(8-22)31-18-14(10)17(25)20-16(21-18)9-6-11(23(27)28)15(24)12(7-9)29-2/h6-7,16,21,24H,3-5,8H2,1-2H3,(H,20,25)InChIKey
VCGRZUMRDRDWSA-UHFFFAOYSA-NSynonyms
CCOC(=O)N1CCC2=C(C1)SC3=C2C(=O)NC(N3)C4=CC(=C(C(=C4)OC)O)(N+)(=O)(O)
CCOC(=O)N1CCc2c(C1)sc1c2C(=NC(N1)c1cc(OC)c(c(c1)(N+)(=O)(O))O)O
ethyl2(4hydroxy3methoxy5nitrophenyl)4oxo123568hexahydropyrido(23)thieno(24d)pyrimidine7carboxylate
ethyl4hydroxy2(4hydroxy3methoxy5nitrophenyl)1568tetrahydropyrido(4345)thieno(23d)pyrimidine7(2H)carboxylate
InChI=1SC19H20N4O7Sc133019(26)22541013(822)311814(10)17(25)2016(2118)9611(23(27)28)15(24)12(79)292h67162124H358H212H3(H2025)
MFCD03837024
ZINC000033890709
ZINC000033890711
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