Vitas-M small molecule compound

ethyl 2-({[5-(4-methoxy-2-nitrophenyl)furan-2-yl]carbonyl}amino)-4,5-dimethylthiophene-3-carboxylate

Catalog ID
STL017741
SMILES CCOC(=O)c1c(NC(=O)c2ccc(o2)c2ccc(cc2[N+](=O)[O-])OC)sc(c1C)C

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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 C21H20N2O7S MW 444.47 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H20N2O7S/c1-5-29-21(25)18-11(2)12(3)31-20(18)22-19(24)17-9-8-16(30-17)14-7-6-13(28-4)10-15(14)23(26)27/h6-10H,5H2,1-4H3,(H,22,24)
InChIKey
KIECRFDFCJVKHY-UHFFFAOYSA-N
Synonyms

CCOC(=O)C1=C(SC(=C1C)C)NC(=O)C2=CC=C(O2)C3=C(C=C(C=C3)OC)(N+)(=O)(O)
CCOC(=O)c1c(NC(=O)c2ccc(o2)c2ccc(cc2(N+)(=O)(O))OC)sc(c1C)C
ethyl2(((5(4methoxy2nitrophenyl)furan2yl)carbonyl)amino)45dimethylthiophene3carboxylate
ETHYL2((5(4METHOXY2NITROPHENYL)(2FURYL))CARBONYLAMINO)45DIMETHYLTHIOPHENE3CARBOXYLATE
ethyl2((5(4methoxy2nitrophenyl)furan2carbonyl)amino)45dimethylthiophene3carboxylate
InChI=1SC21H20N2O7Sc152921(25)1811(2)12(3)3120(18)2219(24)179816(3017)147613(284)1015(14)23(26)27h610H5H214H3(H2224)
MFCD07802680
ZINC000008819034
ZINC08819034
ZINC8819034

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Available files

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