Vitas-M small molecule compound

dipropan-2-yl 5-{[(1-ethyl-4-nitro-1H-pyrazol-3-yl)carbonyl]amino}benzene-1,3-dicarboxylate

Catalog ID
STL395304
SMILES CCn1nc(c(c1)[N+](=O)[O-])C(=O)Nc1cc(cc(c1)C(=O)OC(C)C)C(=O)OC(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 C20H24N4O7 MW 432.43 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H24N4O7/c1-6-23-10-16(24(28)29)17(22-23)18(25)21-15-8-13(19(26)30-11(2)3)7-14(9-15)20(27)31-12(4)5/h7-12H,6H2,1-5H3,(H,21,25)
InChIKey
CZQKFRUTIAUJMN-UHFFFAOYSA-N
Synonyms
512817-40-2
512817402
CCN1C=C(C(=N1)C(=O)NC2=CC(=CC(=C2)C(=O)OC(C)C)C(=O)OC(C)C)(N+)(=O)(O)
CCn1nc(c(c1)(N+)(=O)(O))C(=O)Nc1cc(cc(c1)C(=O)OC(C)C)C(=O)OC(C)C
DIISOPROPYL5(((1ETHYL4NITRO1HPYRAZOL3YL)CARBONYL)AMINO)ISOPHTHALATE
DIPROPAN2YL5(((1ETHYL4NITRO1HPYRAZOL3YL)CARBONYL)AMINO)BENZENE13DICARBOXYLATE
DIPROPAN2YL5((1ETHYL4NITROPYRAZOLE3CARBONYL)AMINO)BENZENE13DICARBOXYLATE
InChI=1SC20H24N4O7c16231016(24(28)29)17(2223)18(25)2115813(19(26)3011(2)3)714(915)20(27)3112(4)5h712H6H215H3(H2125)
METHYLETHYL5((1ETHYL4NITROPYRAZOL3YL)CARBONYLAMINO)3((METHYLETHYL)OXYCARBONYL)BENZOATE
MFCD03468010
ZINC000001015900
ZINC01015900
ZINC1015900

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Available files

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