Vitas-M small molecule compound
ethyl 5-(3-chloro-2-methylphenyl)-1-(4-chlorophenyl)-4,6-dioxo-1,3a,4,5,6,6a-hexahydropyrrolo[3,4-c]pyrazole-3-carboxylate
Catalog ID
STL004574
SMILES CCOC(=O)C1=NN(C2C1C(=O)N(C2=O)c1cccc(c1C)Cl)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 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)13-9-7-12(22)8-10-13)20(28)25(19(16)27)15-6-4-5-14(23)11(15)2/h4-10,16,18H,3H2,1-2H3InChIKey
WIDOYZJXGXJVAM-UHFFFAOYSA-NSynonyms
1022821-23-31022821233
CCOC(=O)C1=NN(C2C1C(=O)N(C2=O)C3=C(C(=CC=C3)Cl)C)C4=CC=C(C=C4)Cl
ethyl5(3chloro2methylphenyl)1(4chlorophenyl)46dioxo13a4566ahexahydropyrrolo(34c)pyrazole3carboxylate
ETHYL5(3CHLORO2METHYLPHENYL)1(4CHLOROPHENYL)46DIOXO3A6ADIHYDROPYRROLO(34C)PYRAZOLE3CARBOXYLATE
InChI=1SC21H17Cl2N3O4c133021(29)171618(26(2417)139712(22)81013)20(28)25(19(16)27)1564514(23)11(15)2h4101618H3H212H3
MFCD01575742
ZINC000009185136
ZINC000101152077
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