Vitas-M small molecule compound
ethyl 2-{[(4-chloro-2-nitrophenyl)carbonyl]amino}-5-(diethylcarbamoyl)-4-methylthiophene-3-carboxylate
Catalog ID
STK440127
SMILES CCOC(=O)c1c(NC(=O)c2ccc(cc2[N+](=O)[O-])Cl)sc(c1C)C(=O)N(CC)CC
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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 C20H22ClN3O6S MW 467.93 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H22ClN3O6S/c1-5-23(6-2)19(26)16-11(4)15(20(27)30-7-3)18(31-16)22-17(25)13-9-8-12(21)10-14(13)24(28)29/h8-10H,5-7H2,1-4H3,(H,22,25)InChIKey
NQXMBMDHBPIKQC-UHFFFAOYSA-NSynonyms
CCN(CC)C(=O)C1=C(C(=C(S1)NC(=O)C2=C(C=C(C=C2)Cl)(N+)(=O)(O))C(=O)OCC)C
CCOC(=O)c1c(NC(=O)c2ccc(cc2(N+)(=O)(O))Cl)sc(c1C)C(=O)N(CC)CC
ethyl2(((4chloro2nitrophenyl)carbonyl)amino)5(diethylcarbamoyl)4methylthiophene3carboxylate
ETHYL2((4CHLORO2NITROBENZOYL)AMINO)5(DIETHYLCARBAMOYL)4METHYLTHIOPHENE3CARBOXYLATE
ETHYL5(NNDIETHYLCARBAMOYL)2((4CHLORO2NITROPHENYL)CARBONYLAMINO)4METHYLTHIOPHENE3CARBOXYLATE
InChI=1SC20H22ClN3O6Sc1523(62)19(26)1611(4)15(20(27)3073)18(3116)2217(25)139812(21)1014(13)24(28)29h810H57H214H3(H2225)
MFCD03378887
ZINC000001111886
ZINC01111886
ZINC1111886
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