Vitas-M small molecule compound
ethyl 5-(3-chloro-2-methylphenyl)-1-(4-methoxyphenyl)-4,6-dioxo-1,3a,4,5,6,6a-hexahydropyrrolo[3,4-c]pyrazole-3-carboxylate
Catalog ID
STL003957
SMILES CCOC(=O)C1=NN(C2C1C(=O)N(C2=O)c1cccc(c1C)Cl)c1ccc(cc1)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)13-8-10-14(30-3)11-9-13)21(28)25(20(17)27)16-7-5-6-15(23)12(16)2/h5-11,17,19H,4H2,1-3H3InChIKey
IBNDXLOODJGBRG-UHFFFAOYSA-NSynonyms
1024366-54-81024366548
CCOC(=O)C1=NN(C2C1C(=O)N(C2=O)C3=C(C(=CC=C3)Cl)C)C4=CC=C(C=C4)OC
ethyl5(3chloro2methylphenyl)1(4methoxyphenyl)46dioxo13a4566ahexahydropyrrolo(34c)pyrazole3carboxylate
ETHYL5(3CHLORO2METHYLPHENYL)1(4METHOXYPHENYL)46DIOXO3A6ADIHYDROPYRROLO(34C)PYRAZOLE3CARBOXYLATE
InChI=1SC22H20ClN3O5c143122(29)181719(26(2418)1381014(303)11913)21(28)25(20(17)27)1675615(23)12(16)2h5111719H4H213H3
MFCD04173916
ZINC000009304093
ZINC000101125888
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