Vitas-M small molecule compound
ethyl 1-acetyl-5-benzyl-4,6-dioxo-1,3a,4,5,6,6a-hexahydropyrrolo[3,4-c]pyrazole-3-carboxylate
Catalog ID
STK825894
SMILES CCOC(=O)C1=NN(C2C1C(=O)N(C2=O)Cc1ccccc1)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 C17H17N3O5 MW 343.34 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H17N3O5/c1-3-25-17(24)13-12-14(20(18-13)10(2)21)16(23)19(15(12)22)9-11-7-5-4-6-8-11/h4-8,12,14H,3,9H2,1-2H3InChIKey
YEEASOZCRIKUAY-UHFFFAOYSA-NSynonyms
957503-39-8957503398
CCOC(=O)C1=NN(C2C1C(=O)N(C2=O)CC3=CC=CC=C3)C(=O)C
ethyl1acetyl5benzyl46dioxo13a4566ahexahydropyrrolo(34c)pyrazole3carboxylate
ETHYL1ACETYL5BENZYL46DIOXO3A6ADIHYDROPYRROLO(34C)PYRAZOLE3CARBOXYLATE
InChI=1SC17H17N3O5c132517(24)131214(20(1813)10(2)21)16(23)19(15(12)22)9117546811h481214H39H212H3
MFCD06601610
ZINC000004837915
ZINC000101273907
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