Vitas-M small molecule compound
methyl 5-(4-methoxyphenyl)-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
STK710961
SMILES COc1ccc(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 C20H23N3O6 MW 401.42 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H23N3O6/c1-11(24)10-20(2,3)23-16-14(15(21-23)19(27)29-5)17(25)22(18(16)26)12-6-8-13(28-4)9-7-12/h6-9,14,16H,10H2,1-5H3InChIKey
XFNVKIHFBGLOSW-UHFFFAOYSA-NSynonyms
CC(=O)CC(C)(C)N1C2C(C(=N1)C(=O)OC)C(=O)N(C2=O)C3=CC=C(C=C3)OC
InChI=1SC20H23N3O6c111(24)1020(23)231614(15(2123)19(27)295)17(25)22(18(16)26)126813(284)9712h691416H10H215H3
methyl5(4methoxyphenyl)1(2methyl4oxopentan2yl)46dioxo13a4566ahexahydropyrrolo(34c)pyrazole3carboxylate
METHYL5(4METHOXYPHENYL)1(2METHYL4OXOPENTAN2YL)46DIOXO3A6ADIHYDROPYRROLO(34C)PYRAZOLE3CARBOXYLATE
MFCD02990724
ZINC000018208647
ZINC000102682279
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