Vitas-M small molecule compound
methyl 5-(4-ethylphenyl)-1-(2-methyl-4-oxopentan-2-yl)-4,6-dioxo-1,3a,4,5,6,6a-hexahydropyrrolo[3,4-c]pyrazole-3-carboxylate
Catalog ID
STK710719
SMILES CCc1ccc(cc1)N1C(=O)C2C(C1=O)N(N=C2C(=O)OC)C(CC(=O)C)(C)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 C21H25N3O5 MW 399.45 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H25N3O5/c1-6-13-7-9-14(10-8-13)23-18(26)15-16(20(28)29-5)22-24(17(15)19(23)27)21(3,4)11-12(2)25/h7-10,15,17H,6,11H2,1-5H3InChIKey
JMZOTPWGACIOHV-UHFFFAOYSA-NSynonyms
CCC1=CC=C(C=C1)N2C(=O)C3C(C2=O)N(N=C3C(=O)OC)C(C)(C)CC(=O)C
InChI=1SC21H25N3O5c16137914(10813)2318(26)1516(20(28)295)2224(17(15)19(23)27)21(34)1112(2)25h7101517H611H215H3
methyl5(4ethylphenyl)1(2methyl4oxopentan2yl)46dioxo13a4566ahexahydropyrrolo(34c)pyrazole3carboxylate
METHYL5(4ETHYLPHENYL)1(2METHYL4OXOPENTAN2YL)46DIOXO3A6ADIHYDROPYRROLO(34C)PYRAZOLE3CARBOXYLATE
MFCD06014812
ZINC000004721454
ZINC000100191758
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