Vitas-M small molecule compound
ethyl 1-(3-chlorophenyl)-5-(2-methoxyphenyl)-4,6-dioxo-1,3a,4,5,6,6a-hexahydropyrrolo[3,4-c]pyrazole-3-carboxylate
Catalog ID
STK998639
SMILES CCOC(=O)C1=NN(C2C1C(=O)N(C2=O)c1ccccc1OC)c1cccc(c1)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 C21H18ClN3O5 MW 427.84 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H18ClN3O5/c1-3-30-21(28)17-16-18(25(23-17)13-8-6-7-12(22)11-13)20(27)24(19(16)26)14-9-4-5-10-15(14)29-2/h4-11,16,18H,3H2,1-2H3InChIKey
NEDALZTUYWOKAR-UHFFFAOYSA-NSynonyms
958583-48-7958583487
CCOC(=O)C1=NN(C2C1C(=O)N(C2=O)C3=CC=CC=C3OC)C4=CC(=CC=C4)Cl
ethyl1(3chlorophenyl)5(2methoxyphenyl)46dioxo13a4566ahexahydropyrrolo(34c)pyrazole3carboxylate
ETHYL1(3CHLOROPHENYL)5(2METHOXYPHENYL)46DIOXO3A6ADIHYDROPYRROLO(34C)PYRAZOLE3CARBOXYLATE
ETHYL3(3CHLOROPHENYL)5(2METHOXYPHENYL)46DIOXO353A6ATETRAHYDRO235TRIAZAPENTALENECARBOXYLATE
InChI=1SC21H18ClN3O5c133021(28)171618(25(2317)1386712(22)1113)20(27)24(19(16)26)149451015(14)292h4111618H3H212H3
MFCD02315894
ZINC000009600677
ZINC000100563787
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