Vitas-M small molecule compound
ethyl 5-(3-chloro-2-methylphenyl)-1-(2-chlorophenyl)-4,6-dioxo-1,3a,4,5,6,6a-hexahydropyrrolo[3,4-c]pyrazole-3-carboxylate
Catalog ID
STL004613
SMILES CCOC(=O)C1=NN(C2C1C(=O)N(C2=O)c1cccc(c1C)Cl)c1ccccc1Cl
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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 C21H17Cl2N3O4 MW 446.29 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H17Cl2N3O4/c1-3-30-21(29)17-16-18(26(24-17)15-9-5-4-7-13(15)23)20(28)25(19(16)27)14-10-6-8-12(22)11(14)2/h4-10,16,18H,3H2,1-2H3InChIKey
BOJUQTZEHLILDF-UHFFFAOYSA-NSynonyms
1024203-36-81024203368
CCOC(=O)C1=NN(C2C1C(=O)N(C2=O)C3=C(C(=CC=C3)Cl)C)C4=CC=CC=C4Cl
ethyl5(3chloro2methylphenyl)1(2chlorophenyl)46dioxo13a4566ahexahydropyrrolo(34c)pyrazole3carboxylate
ETHYL5(3CHLORO2METHYLPHENYL)1(2CHLOROPHENYL)46DIOXO3A6ADIHYDROPYRROLO(34C)PYRAZOLE3CARBOXYLATE
InChI=1SC21H17Cl2N3O4c133021(29)171618(26(2417)15954713(15)23)20(28)25(19(16)27)14106812(22)11(14)2h4101618H3H212H3
MFCD04181113
ZINC000017992718
ZINC000101142236
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