Vitas-M small molecule compound
3-({(E)-[5-(2-chloro-4-nitrophenyl)furan-2-yl]methylidene}amino)-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one
Catalog ID
STL296241
SMILES Clc1cc(ccc1c1ccc(o1)/C=N/n1cnc2c(c1=O)c1CCCCc1s2)[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 C21H15ClN4O4S MW 454.89 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H15ClN4O4S/c22-16-9-12(26(28)29)5-7-14(16)17-8-6-13(30-17)10-24-25-11-23-20-19(21(25)27)15-3-1-2-4-18(15)31-20/h5-11H,1-4H2/b24-10+InChIKey
UBRDYGLGHCCJIW-YSURURNPSA-NSynonyms
352559-02-5(E)3(((5(2chloro4nitrophenyl)furan2yl)methylene)amino)5678tetrahydrobenzo(45)thieno(23d)pyrimidin4(3H)one
3(((E)(5(2chloro4nitrophenyl)furan2yl)methylidene)amino)5678tetrahydro(1)benzothieno(23d)pyrimidin4(3H)one
3((E)(5(2chloro4nitrophenyl)furan2yl)methylideneamino)5678tetrahydro(1)benzothiolo(23d)pyrimidin4one
352559025
C1CCC2=C(C1)C3=C(S2)N=CN(C3=O)N=CC4=CC=C(O4)C5=C(C=C(C=C5)(N+)(=O)(O))Cl
Clc1cc(ccc1c1ccc(o1)C=Nn1cnc2c(c1=O)c1CCCCc1s2)(N+)(=O)(O)
InChI=1SC21H15ClN4O4Sc2216912(26(28)29)5714(16)178613(3017)10242511232019(21(25)27)15312418(15)3120h511H14H2b2410+
MFCD02069908
ZINC000002075851
ZINC2075850
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