Vitas-M small molecule compound

ethyl 2-{[(4-chloro-2-nitrophenyl)carbonyl]amino}-4-ethyl-5-methylthiophene-3-carboxylate

Catalog ID
STK440128
SMILES CCOC(=O)c1c(NC(=O)c2ccc(cc2[N+](=O)[O-])Cl)sc(c1CC)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 C17H17ClN2O5S MW 396.85 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H17ClN2O5S/c1-4-11-9(3)26-16(14(11)17(22)25-5-2)19-15(21)12-7-6-10(18)8-13(12)20(23)24/h6-8H,4-5H2,1-3H3,(H,19,21)
InChIKey
TURJGPRWQQAGHM-UHFFFAOYSA-N
Synonyms

CCC1=C(SC(=C1C(=O)OCC)NC(=O)C2=C(C=C(C=C2)Cl)(N+)(=O)(O))C
CCOC(=O)c1c(NC(=O)c2ccc(cc2(N+)(=O)(O))Cl)sc(c1CC)C
ethyl2(((4chloro2nitrophenyl)carbonyl)amino)4ethyl5methylthiophene3carboxylate
ETHYL2((4CHLORO2NITROBENZOYL)AMINO)4ETHYL5METHYLTHIOPHENE3CARBOXYLATE
ETHYL2((4CHLORO2NITROPHENYL)CARBONYLAMINO)4ETHYL5METHYLTHIOPHENE3CARBOXYLATE
InChI=1SC17H17ClN2O5Sc14119(3)2616(14(11)17(22)2552)1915(21)127610(18)813(12)20(23)24h68H45H213H3(H1921)
MFCD03385558
ZINC000001111879
ZINC01111879
ZINC1111879

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Available files

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