Vitas-M small molecule compound
ethyl 1-acetyl-4,6-dioxo-5-phenyl-1,3a,4,5,6,6a-hexahydropyrrolo[3,4-c]pyrazole-3-carboxylate
Catalog ID
STL002308
SMILES CCOC(=O)C1=NN(C2C1C(=O)N(C2=O)c1ccccc1)C(=O)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 C16H15N3O5 MW 329.31 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H15N3O5/c1-3-24-16(23)12-11-13(19(17-12)9(2)20)15(22)18(14(11)21)10-7-5-4-6-8-10/h4-8,11,13H,3H2,1-2H3InChIKey
VODFOAKBWBQBHX-UHFFFAOYSA-NSynonyms
499193-29-2499193292
CCOC(=O)C1=NN(C2C1C(=O)N(C2=O)C3=CC=CC=C3)C(=O)C
ethyl1acetyl46dioxo5phenyl13a4566ahexahydropyrrolo(34c)pyrazole3carboxylate
ETHYL1ACETYL46DIOXO5PHENYL3A6ADIHYDROPYRROLO(34C)PYRAZOLE3CARBOXYLATE
InChI=1SC16H15N3O5c132416(23)121113(19(1712)9(2)20)15(22)18(14(11)21)107546810h481113H3H212H3
MFCD02309512
ZINC000005163090
ZINC000101100363
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