Vitas-M small molecule compound
methyl 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
STL002499
SMILES COC(=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 C20H15Cl2N3O4 MW 432.26 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H15Cl2N3O4/c1-10-13(22)4-3-5-14(10)24-18(26)15-16(20(28)29-2)23-25(17(15)19(24)27)12-8-6-11(21)7-9-12/h3-9,15,17H,1-2H3InChIKey
SCHNXELDNRZMGQ-UHFFFAOYSA-NSynonyms
1024084-63-61024084636
CC1=C(C=CC=C1Cl)N2C(=O)C3C(C2=O)N(N=C3C(=O)OC)C4=CC=C(C=C4)Cl
InChI=1SC20H15Cl2N3O4c11013(22)43514(10)2418(26)1516(20(28)292)2325(17(15)19(24)27)128611(21)7912h391517H12H3
methyl5(3chloro2methylphenyl)1(4chlorophenyl)46dioxo13a4566ahexahydropyrrolo(34c)pyrazole3carboxylate
METHYL5(3CHLORO2METHYLPHENYL)1(4CHLOROPHENYL)46DIOXO3A6ADIHYDROPYRROLO(34C)PYRAZOLE3CARBOXYLATE
MFCD04175914
ZINC000009330071
ZINC000101130539
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