Vitas-M small molecule compound
methyl 1-acetyl-5-(3,5-dimethylphenyl)-4,6-dioxo-1,3a,4,5,6,6a-hexahydropyrrolo[3,4-c]pyrazole-3-carboxylate
Catalog ID
STL222570
SMILES COC(=O)C1=NN(C2C1C(=O)N(C2=O)c1cc(C)cc(c1)C)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/c1-8-5-9(2)7-11(6-8)19-15(22)12-13(17(24)25-4)18-20(10(3)21)14(12)16(19)23/h5-7,12,14H,1-4H3InChIKey
XXWKDXVXNYIUQS-UHFFFAOYSA-NSynonyms
956352-13-9956352139
CC1=CC(=CC(=C1)N2C(=O)C3C(C2=O)N(N=C3C(=O)OC)C(=O)C)C
InChI=1SC17H17N3O5c1859(2)711(68)1915(22)1213(17(24)254)1820(10(3)21)14(12)16(19)23h571214H14H3
methyl1acetyl5(35dimethylphenyl)46dioxo13a4566ahexahydropyrrolo(34c)pyrazole3carboxylate
METHYL1ACETYL5(35DIMETHYLPHENYL)46DIOXO3A6ADIHYDROPYRROLO(34C)PYRAZOLE3CARBOXYLATE
METHYL3ACETYL5(35DIMETHYLPHENYL)46DIOXO353A6ATETRAHYDRO235TRIAZAPENTALENECARBOXYLATE
MFCD04195492
ZINC000018010590
ZINC000100639100
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