Vitas-M small molecule compound

5-{[(3,5-dinitrophenyl)carbonyl]amino}-N~2~,N~2~-diethyl-3-methylthiophene-2,4-dicarboxamide

Catalog ID
STK444344
SMILES CCN(C(=O)c1sc(c(c1C)C(=O)N)NC(=O)c1cc(cc(c1)[N+](=O)[O-])[N+](=O)[O-])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 C18H19N5O7S MW 449.44 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H19N5O7S/c1-4-21(5-2)18(26)14-9(3)13(15(19)24)17(31-14)20-16(25)10-6-11(22(27)28)8-12(7-10)23(29)30/h6-8H,4-5H2,1-3H3,(H2,19,24)(H,20,25)
InChIKey
ULZLMIIENWLUME-UHFFFAOYSA-N
Synonyms

5(((35dinitrophenyl)carbonyl)amino)N~2~N~2~diethyl3methylthiophene24dicarboxamide
5(((35DINITROPHENYL)CARBONYL)AMINO)N2N2DIETHYL3METHYLTHIOPHENE24DICARBOXAMIDE
5((35BISNITROBENZOYL)AMINO)N2N2DIETHYL3METHYL24THIOPHENEDICARBOXAMIDE
5((35DINITROBENZOYL)AMINO)2N2NDIETHYL3METHYLTHIOPHENE24DICARBOXAMIDE
5(NNDIETHYLCARBAMOYL)2((35DINITROPHENYL)CARBONYLAMINO)4METHYLTHIOPHENE3CARBOXAMIDE
CCN(C(=O)c1sc(c(c1C)C(=O)N)NC(=O)c1cc(cc(c1)(N+)(=O)(O))(N+)(=O)(O))CC
CCN(CC)C(=O)C1=C(C(=C(S1)NC(=O)C2=CC(=CC(=C2)(N+)(=O)(O))(N+)(=O)(O))C(=O)N)C
InChI=1SC18H19N5O7Sc1421(52)18(26)149(3)13(15(19)24)17(3114)2016(25)10611(22(27)28)812(710)23(29)30h68H45H213H3(H21924)(H2025)
MFCD01351534
ZINC000002083601
ZINC02083601
ZINC2083601

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Available files

Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.