Vitas-M small molecule compound
ethyl 2-{[(2-chloro-5-nitrophenyl)carbonyl]amino}-5-(dimethylcarbamoyl)-4-methylthiophene-3-carboxylate
Catalog ID
STK444876
SMILES CCOC(=O)c1c(NC(=O)c2cc(ccc2Cl)[N+](=O)[O-])sc(c1C)C(=O)N(C)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 C18H18ClN3O6S MW 439.88 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H18ClN3O6S/c1-5-28-18(25)13-9(2)14(17(24)21(3)4)29-16(13)20-15(23)11-8-10(22(26)27)6-7-12(11)19/h6-8H,5H2,1-4H3,(H,20,23)InChIKey
YROUKMMEXXXVIN-UHFFFAOYSA-NSynonyms
CCOC(=O)C1=C(SC(=C1C)C(=O)N(C)C)NC(=O)C2=C(C=CC(=C2)(N+)(=O)(O))Cl
CCOC(=O)c1c(NC(=O)c2cc(ccc2Cl)(N+)(=O)(O))sc(c1C)C(=O)N(C)C
ethyl2(((2chloro5nitrophenyl)carbonyl)amino)5(dimethylcarbamoyl)4methylthiophene3carboxylate
ETHYL2((2CHLORO5NITROBENZOYL)AMINO)5(DIMETHYLCARBAMOYL)4METHYLTHIOPHENE3CARBOXYLATE
ETHYL5(NNDIMETHYLCARBAMOYL)2((2CHLORO5NITROPHENYL)CARBONYLAMINO)4METHYLTHIOPHENE3CARBOXYLATE
InChI=1SC18H18ClN3O6Sc152818(25)139(2)14(17(24)21(3)4)2916(13)2015(23)11810(22(26)27)6712(11)19h68H5H214H3(H2023)
MFCD03391844
ZINC000019630676
ZINC19630676
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