Vitas-M small molecule compound

methyl 1-acetyl-7-(3-methoxyphenyl)-6,8-dioxo-1,2,7-triazaspiro[4.4]non-2-ene-3-carboxylate

Catalog ID
STK554297
SMILES COc1cccc(c1)N1C(=O)CC2(C1=O)CC(=NN2C(=O)C)C(=O)OC

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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 C17H17N3O6 MW 359.34 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H17N3O6/c1-10(21)20-17(8-13(18-20)15(23)26-3)9-14(22)19(16(17)24)11-5-4-6-12(7-11)25-2/h4-7H,8-9H2,1-3H3
InChIKey
JLDGVSQCJHFICB-UHFFFAOYSA-N
Synonyms
723320-14-7
723320147
CC(=O)N1C2(CC(=N1)C(=O)OC)CC(=O)N(C2=O)C3=CC(=CC=C3)OC
InChI=1SC17H17N3O6c110(21)2017(813(1820)15(23)263)914(22)19(16(17)24)1154612(711)252h47H89H213H3
methyl1acetyl7(3methoxyphenyl)68dioxo127triazaspiro(44)non2ene3carboxylate
METHYL4ACETYL8(3METHOXYPHENYL)79DIOXO348TRIAZASPIRO(44)NON2ENE2CARBOXYLATE
MFCD04005519
ZINC000005093055
ZINC000005093057

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Available files

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