Vitas-M small molecule compound
methyl 1-acetyl-5-(4-ethylphenyl)-4,6-dioxo-1,3a,4,5,6,6a-hexahydropyrrolo[3,4-c]pyrazole-3-carboxylate
Catalog ID
STK709785
SMILES CCc1ccc(cc1)N1C(=O)C2C(C1=O)C(=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 C17H17N3O5 MW 343.34 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H17N3O5/c1-4-10-5-7-11(8-6-10)19-15(22)12-13(17(24)25-3)18-20(9(2)21)14(12)16(19)23/h5-8,12,14H,4H2,1-3H3InChIKey
CFWLHQWKXNXVMV-UHFFFAOYSA-NSynonyms
CCC1=CC=C(C=C1)N2C(=O)C3C(C2=O)N(N=C3C(=O)OC)C(=O)C
InChI=1SC17H17N3O5c14105711(8610)1915(22)1213(17(24)253)1820(9(2)21)14(12)16(19)23h581214H4H213H3
methyl1acetyl5(4ethylphenyl)46dioxo13a4566ahexahydropyrrolo(34c)pyrazole3carboxylate
METHYL1ACETYL5(4ETHYLPHENYL)46DIOXO3A6ADIHYDROPYRROLO(34C)PYRAZOLE3CARBOXYLATE
MFCD04362261
ZINC000017748612
ZINC000100170972
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Check stock on Vitas-MAvailable files
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