Vitas-M small molecule compound
ethyl 2-{[(5-chloro-2-nitrophenyl)carbonyl]amino}-5-(diethylcarbamoyl)-4-methylthiophene-3-carboxylate
Catalog ID
STL170722
SMILES CCOC(=O)c1c(sc(c1C)C(=O)N(CC)CC)NC(=O)c1cc(Cl)ccc1[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 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)13-10-12(21)8-9-14(13)24(28)29/h8-10H,5-7H2,1-4H3,(H,22,25)InChIKey
IYAUDKSATMIFRS-UHFFFAOYSA-NSynonyms
362474-08-6362474086
CCN(CC)C(=O)C1=C(C(=C(S1)NC(=O)C2=C(C=CC(=C2)Cl)(N+)(=O)(O))C(=O)OCC)C
CCOC(=O)c1c(sc(c1C)C(=O)N(CC)CC)NC(=O)c1cc(Cl)ccc1(N+)(=O)(O)
ethyl2(((5chloro2nitrophenyl)carbonyl)amino)5(diethylcarbamoyl)4methylthiophene3carboxylate
ETHYL2((5CHLORO2NITROBENZOYL)AMINO)5(DIETHYLCARBAMOYL)4METHYLTHIOPHENE3CARBOXYLATE
InChI=1SC20H22ClN3O6Sc1523(62)19(26)1611(4)15(20(27)3073)18(3116)2217(25)131012(21)8914(13)24(28)29h810H57H214H3(H2225)
MFCD01337830
ZINC000001199921
ZINC01199921
ZINC1199921
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