Vitas-M small molecule compound
ethyl 5-(2,5-dimethoxyphenyl)-4,6-dioxo-1,3a,4,5,6,6a-hexahydropyrrolo[3,4-c]pyrazole-3-carboxylate
Catalog ID
STK758623
SMILES CCOC(=O)C1=NNC2C1C(=O)N(C2=O)c1cc(OC)ccc1OC
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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 C16H17N3O6 MW 347.33 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H17N3O6/c1-4-25-16(22)13-11-12(17-18-13)15(21)19(14(11)20)9-7-8(23-2)5-6-10(9)24-3/h5-7,11-12,17H,4H2,1-3H3InChIKey
GPDLDWBCMRDKTI-UHFFFAOYSA-NSynonyms
(3aR6aR)ethyl5(25dimethoxyphenyl)46dioxo13a4566ahexahydropyrrolo(34c)pyrazole3carboxylate
CCOC(=O)C1=NN(C@@H)2(C@H)1C(=O)N(C2=O)c1cc(OC)ccc1OC
CCOC(=O)C1=NNC2C1C(=O)N(C2=O)C3=C(C=CC(=C3)OC)OC
ethyl5(25dimethoxyphenyl)46dioxo13a4566ahexahydropyrrolo(34c)pyrazole3carboxylate
ETHYL5(25DIMETHOXYPHENYL)46DIOXO3A6ADIHYDRO1HPYRROLO(34C)PYRAZOLE3CARBOXYLATE
InChI=1SC16H17N3O6c142516(22)131112(171813)15(21)19(14(11)20)978(232)5610(9)243h57111217H4H213H3
MFCD01187964
ZINC000004309816
ZINC000100069684
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