Vitas-M small molecule compound
ethyl 5-(3-chloro-2-methylphenyl)-1-(3-methoxyphenyl)-4,6-dioxo-1,3a,4,5,6,6a-hexahydropyrrolo[3,4-c]pyrazole-3-carboxylate
Catalog ID
STL002969
SMILES CCOC(=O)C1=NN(C2C1C(=O)N(C2=O)c1cccc(c1C)Cl)c1cccc(c1)OC
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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 C22H20ClN3O5 MW 441.87 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H20ClN3O5/c1-4-31-22(29)18-17-19(26(24-18)13-7-5-8-14(11-13)30-3)21(28)25(20(17)27)16-10-6-9-15(23)12(16)2/h5-11,17,19H,4H2,1-3H3InChIKey
XISGXSRXQRUGSZ-UHFFFAOYSA-NSynonyms
1022330-73-91022330739
CCOC(=O)C1=NN(C2C1C(=O)N(C2=O)C3=C(C(=CC=C3)Cl)C)C4=CC(=CC=C4)OC
ethyl5(3chloro2methylphenyl)1(3methoxyphenyl)46dioxo13a4566ahexahydropyrrolo(34c)pyrazole3carboxylate
ETHYL5(3CHLORO2METHYLPHENYL)1(3METHOXYPHENYL)46DIOXO3A6ADIHYDROPYRROLO(34C)PYRAZOLE3CARBOXYLATE
InChI=1SC22H20ClN3O5c143122(29)181719(26(2418)1375814(1113)303)21(28)25(20(17)27)16106915(23)12(16)2h5111719H4H213H3
MFCD04154578
ZINC000009191689
ZINC000101091084
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