Vitas-M small molecule compound
methyl 4-({[4-(4-nitro-1H-pyrazol-1-yl)butanoyl]amino}methyl)benzoate
Catalog ID
STK784043
SMILES COC(=O)c1ccc(cc1)CNC(=O)CCCn1ncc(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 C16H18N4O5 MW 346.34 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H18N4O5/c1-25-16(22)13-6-4-12(5-7-13)9-17-15(21)3-2-8-19-11-14(10-18-19)20(23)24/h4-7,10-11H,2-3,8-9H2,1H3,(H,17,21)InChIKey
LRPZLCNAPCBIDX-UHFFFAOYSA-NSynonyms
COC(=O)C1=CC=C(C=C1)CNC(=O)CCCN2C=C(C=N2)(N+)(=O)(O)
COC(=O)c1ccc(cc1)CNC(=O)CCCn1ncc(c1)(N+)(=O)(O)
InChI=1SC16H18N4O5c12516(22)136412(5713)91715(21)328191114(101819)20(23)24h471011H2389H21H3(H1721)
methyl4(((4(4nitro1Hpyrazol1yl)butanoyl)amino)methyl)benzoate
METHYL4((4(4NITROPYRAZOL1YL)BUTANOYLAMINO)METHYL)BENZOATE
MFCD06619375
ZINC000004753648
ZINC04753648
ZINC4753648
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