Vitas-M small molecule compound
methyl 5-(dimethylcarbamoyl)-2-{[(2,4-dinitrophenyl)carbonyl]amino}-4-methylthiophene-3-carboxylate
Catalog ID
STK452915
SMILES COC(=O)c1c(NC(=O)c2ccc(cc2[N+](=O)[O-])[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 C17H16N4O8S MW 436.40 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H16N4O8S/c1-8-12(17(24)29-4)15(30-13(8)16(23)19(2)3)18-14(22)10-6-5-9(20(25)26)7-11(10)21(27)28/h5-7H,1-4H3,(H,18,22)InChIKey
BGHWKBCZFQSNEZ-UHFFFAOYSA-NSynonyms
CC1=C(SC(=C1C(=O)OC)NC(=O)C2=C(C=C(C=C2)(N+)(=O)(O))(N+)(=O)(O))C(=O)N(C)C
COC(=O)c1c(NC(=O)c2ccc(cc2(N+)(=O)(O))(N+)(=O)(O))sc(c1C)C(=O)N(C)C
InChI=1SC17H16N4O8Sc1812(17(24)294)15(3013(8)16(23)19(2)3)1814(22)10659(20(25)26)711(10)21(27)28h57H14H3(H1822)
METHYL2((24BISNITROBENZOYL)AMINO)5((DIMETHYLAMINO)CARBONYL)4METHYLTHIOPHENE3CARBOXYLATE
methyl5(dimethylcarbamoyl)2(((24dinitrophenyl)carbonyl)amino)4methylthiophene3carboxylate
METHYL5(DIMETHYLCARBAMOYL)2((24DINITROBENZOYL)AMINO)4METHYLTHIOPHENE3CARBOXYLATE
METHYL5(NNDIMETHYLCARBAMOYL)2((24DINITROPHENYL)CARBONYLAMINO)4METHYLTHIOPHENE3CARBOXYLATE
MFCD02373211
ZINC000002101797
ZINC02101797
ZINC2101797
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Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.