Vitas-M small molecule compound
ethyl 1-(4-methylphenyl)-5-(2-nitrophenyl)-4,6-dioxo-1,3a,4,5,6,6a-hexahydropyrrolo[3,4-c]pyrazole-3-carboxylate
Catalog ID
STK733691
SMILES CCOC(=O)C1=NN(C2C1C(=O)N(C2=O)c1ccccc1[N+](=O)[O-])c1ccc(cc1)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 C21H18N4O6 MW 422.40 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H18N4O6/c1-3-31-21(28)17-16-18(24(22-17)13-10-8-12(2)9-11-13)20(27)23(19(16)26)14-6-4-5-7-15(14)25(29)30/h4-11,16,18H,3H2,1-2H3InChIKey
IJHLTWABXCIDLM-UHFFFAOYSA-NSynonyms
CCOC(=O)C1=NN(C2C1C(=O)N(C2=O)c1ccccc1(N+)(=O)(O))c1ccc(cc1)C
CCOC(=O)C1=NN(C2C1C(=O)N(C2=O)C3=CC=CC=C3(N+)(=O)(O))C4=CC=C(C=C4)C
ethyl1(4methylphenyl)5(2nitrophenyl)46dioxo13a4566ahexahydropyrrolo(34c)pyrazole3carboxylate
ETHYL1(4METHYLPHENYL)5(2NITROPHENYL)46DIOXO3A6ADIHYDROPYRROLO(34C)PYRAZOLE3CARBOXYLATE
InChI=1SC21H18N4O6c133121(28)171618(24(2217)1310812(2)91113)20(27)23(19(16)26)14645715(14)25(29)30h4111618H3H212H3
MFCD01460227
ZINC000012412831
ZINC000100070650
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