Vitas-M small molecule compound
methyl 6a-(4-chlorophenyl)-5-(2,3-dimethylphenyl)-4,6-dioxo-1,3a,4,5,6,6a-hexahydropyrrolo[3,4-c]pyrazole-3-carboxylate
Catalog ID
STK537354
SMILES COC(=O)C1=NNC2(C1C(=O)N(C2=O)c1cccc(c1C)C)c1ccc(cc1)Cl
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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 C21H18ClN3O4 MW 411.84 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H18ClN3O4/c1-11-5-4-6-15(12(11)2)25-18(26)16-17(19(27)29-3)23-24-21(16,20(25)28)13-7-9-14(22)10-8-13/h4-10,16,24H,1-3H3InChIKey
DXKGBRWHXUWSQX-UHFFFAOYSA-NSynonyms
CC1=C(C(=CC=C1)N2C(=O)C3C(=NNC3(C2=O)C4=CC=C(C=C4)Cl)C(=O)OC)C
InChI=1SC21H18ClN3O4c11154615(12(11)2)2518(26)1617(19(27)293)232421(1620(25)28)137914(22)10813h4101624H13H3
methyl6a(4chlorophenyl)5(23dimethylphenyl)46dioxo13a4566ahexahydropyrrolo(34c)pyrazole3carboxylate
METHYL6A(4CHLOROPHENYL)5(23DIMETHYLPHENYL)46DIOXO13ADIHYDROPYRROLO(34C)PYRAZOLE3CARBOXYLATE
MFCD02992901
ZINC000004811334
ZINC000004811337
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