Vitas-M small molecule compound
methyl 5-(5-chloro-2-methoxyphenyl)-4,6-dioxo-1,3a,4,5,6,6a-hexahydropyrrolo[3,4-c]pyrazole-3-carboxylate
Catalog ID
STK709757
SMILES COC(=O)C1=NNC2C1C(=O)N(C2=O)c1cc(Cl)ccc1OC
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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 C14H12ClN3O5 MW 337.72 g/mol Purity >90% as per NMR
InChI
InChI=1S/C14H12ClN3O5/c1-22-8-4-3-6(15)5-7(8)18-12(19)9-10(13(18)20)16-17-11(9)14(21)23-2/h3-5,9-10,16H,1-2H3InChIKey
POCDZPDYEBDKPT-UHFFFAOYSA-NSynonyms
956369-30-5956369305
COC1=C(C=C(C=C1)Cl)N2C(=O)C3C(C2=O)NN=C3C(=O)OC
InChI=1SC14H12ClN3O5c1228436(15)57(8)1812(19)910(13(18)20)161711(9)14(21)232h3591016H12H3
methyl5(5chloro2methoxyphenyl)46dioxo13a4566ahexahydropyrrolo(34c)pyrazole3carboxylate
METHYL5(5CHLORO2METHOXYPHENYL)46DIOXO3A6ADIHYDRO1HPYRROLO(34C)PYRAZOLE3CARBOXYLATE
MFCD04166887
ZINC000018100241
ZINC000100165644
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