Vitas-M small molecule compound

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

Catalog ID
STK956263
SMILES O=C(Nc1cc(cc(c1)C(=O)OC(C)C)C(=O)OC(C)C)CCn1ncc(c1)[N+](=O)[O-]

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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/c1-12(2)30-19(26)14-7-15(20(27)31-13(3)4)9-16(8-14)22-18(25)5-6-23-11-17(10-21-23)24(28)29/h7-13H,5-6H2,1-4H3,(H,22,25)
InChIKey
KENPEBFDQNEOOI-UHFFFAOYSA-N
Synonyms
512812-06-5
512812065
CC(C)OC(=O)C1=CC(=CC(=C1)NC(=O)CCN2C=C(C=N2)(N+)(=O)(O))C(=O)OC(C)C
dipropan2yl5((3(4nitro1Hpyrazol1yl)propanoyl)amino)benzene13dicarboxylate
DIPROPAN2YL5(3(4NITROPYRAZOL1YL)PROPANOYLAMINO)BENZENE13DICARBOXYLATE
InChI=1SC20H24N4O7c112(2)3019(26)14715(20(27)3113(3)4)916(814)2218(25)56231117(102123)24(28)29h713H56H214H3(H2225)
MFCD03466341
O=C(Nc1cc(cc(c1)C(=O)OC(C)C)C(=O)OC(C)C)CCn1ncc(c1)(N+)(=O)(O)
ZINC000001009289
ZINC01009289
ZINC1009289

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Available files

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