Vitas-M small molecule compound
ethyl 5-carbamoyl-4-methyl-2-{[(4-methyl-3,5-dinitrophenyl)carbonyl]amino}thiophene-3-carboxylate
Catalog ID
STK957126
SMILES CCOC(=O)c1c(NC(=O)c2cc([N+](=O)[O-])c(c(c2)[N+](=O)[O-])C)sc(c1C)C(=O)N
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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/c1-4-29-17(24)12-8(3)13(14(18)22)30-16(12)19-15(23)9-5-10(20(25)26)7(2)11(6-9)21(27)28/h5-6H,4H2,1-3H3,(H2,18,22)(H,19,23)InChIKey
JCMSYBYUGUIFCG-UHFFFAOYSA-NSynonyms
353784-08-4353784084
CCOC(=O)C1=C(SC(=C1C)C(=O)N)NC(=O)C2=CC(=C(C(=C2)(N+)(=O)(O))C)(N+)(=O)(O)
CCOC(=O)c1c(NC(=O)c2cc((N+)(=O)(O))c(c(c2)(N+)(=O)(O))C)sc(c1C)C(=O)N
ETHYL5(AMINOCARBONYL)2((35BISNITRO4METHYLBENZOYL)AMINO)4METHYL3THIOPHENECARBOXYLATE
ethyl5carbamoyl4methyl2(((4methyl35dinitrophenyl)carbonyl)amino)thiophene3carboxylate
ETHYL5CARBAMOYL4METHYL2((4METHYL35DINITROBENZOYL)AMINO)THIOPHENE3CARBOXYLATE
InChI=1SC17H16N4O8Sc142917(24)128(3)13(14(18)22)3016(12)1915(23)9510(20(25)26)7(2)11(69)21(27)28h56H4H213H3(H21822)(H1923)
MFCD01339516
ZINC000002729659
ZINC02729659
ZINC2729659
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