Vitas-M small molecule compound
methyl 5,6a-bis(4-methylphenyl)-4,6-dioxo-1,3a,4,5,6,6a-hexahydropyrrolo[3,4-c]pyrazole-3-carboxylate
Catalog ID
STL330374
SMILES COC(=O)C1=NNC2(C1C(=O)N(C2=O)c1ccc(cc1)C)c1ccc(cc1)C
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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 C21H19N3O4 MW 377.40 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H19N3O4/c1-12-4-8-14(9-5-12)21-16(17(22-23-21)19(26)28-3)18(25)24(20(21)27)15-10-6-13(2)7-11-15/h4-11,16,23H,1-3H3InChIKey
NVNPUWFSXGKKCC-UHFFFAOYSA-NSynonyms
CC1=CC=C(C=C1)C23C(C(=NN2)C(=O)OC)C(=O)N(C3=O)C4=CC=C(C=C4)C
InChI=1SC21H19N3O4c1124814(9512)2116(17(222321)19(26)283)18(25)24(20(21)27)1510613(2)71115h4111623H13H3
methyl46dioxo56adiptolyl13a4566ahexahydropyrrolo(34c)pyrazole3carboxylate
METHYL53ABIS(4METHYLPHENYL)46DIOXO353A6ATETRAHYDRO235TRIAZAPENTALENECARBOXYLATE
methyl56abis(4methylphenyl)46dioxo13a4566ahexahydropyrrolo(34c)pyrazole3carboxylate
METHYL56ABIS(4METHYLPHENYL)46DIOXO13ADIHYDROPYRROLO(34C)PYRAZOLE3CARBOXYLATE
MFCD02308538
ZINC000000852745
ZINC000004811870
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