Vitas-M small molecule compound

methyl 5-(3-chloro-4-methylphenyl)-1-nitroso-4,6-dioxo-1,3a,4,5,6,6a-hexahydropyrrolo[3,4-c]pyrazole-3-carboxylate

Catalog ID
STL006574
SMILES COC(=O)C1=NN(C2C1C(=O)N(C2=O)c1ccc(c(c1)Cl)C)N=O

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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 C14H11ClN4O5 MW 350.72 g/mol Purity >90% as per NMR
InChI
InChI=1S/C14H11ClN4O5/c1-6-3-4-7(5-8(6)15)18-12(20)9-10(14(22)24-2)16-19(17-23)11(9)13(18)21/h3-5,9,11H,1-2H3
InChIKey
IUOAIADSKHKEMQ-UHFFFAOYSA-N
Synonyms
1008248-22-3
1008248223
CC1=C(C=C(C=C1)N2C(=O)C3C(C2=O)N(N=C3C(=O)OC)N=O)Cl
InChI=1SC14H11ClN4O5c16347(58(6)15)1812(20)910(14(22)242)1619(1723)11(9)13(18)21h35911H12H3
methyl5(3chloro4methylphenyl)1nitroso46dioxo13a4566ahexahydropyrrolo(34c)pyrazole3carboxylate
METHYL5(3CHLORO4METHYLPHENYL)1NITROSO46DIOXO3A6ADIHYDROPYRROLO(34C)PYRAZOLE3CARBOXYLATE
MFCD03693931
ZINC000005069830
ZINC000101021097

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Available files

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