Vitas-M small molecule compound
ethyl 4-[5-(4-tert-butylphenyl)-1,3-dimethyl-2,4-dioxo-1,2,3,4-tetrahydro-6H-pyrrolo[3,4-d]pyrimidin-6-yl]benzoate
Catalog ID
STK692545
SMILES CCOC(=O)c1ccc(cc1)n1cc2c(c1c1ccc(cc1)C(C)(C)C)c(=O)n(c(=O)n2C)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 C27H29N3O4 MW 459.55 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H29N3O4/c1-7-34-25(32)18-10-14-20(15-11-18)30-16-21-22(24(31)29(6)26(33)28(21)5)23(30)17-8-12-19(13-9-17)27(2,3)4/h8-16H,7H2,1-6H3InChIKey
HFYDOTQAHWHSRA-UHFFFAOYSA-NSynonyms
CCOC(=O)C1=CC=C(C=C1)N2C=C3C(=C2C4=CC=C(C=C4)C(C)(C)C)C(=O)N(C(=O)N3C)C
ethyl4(5(4tertbutylphenyl)13dimethyl24dioxo1234tetrahydro6Hpyrrolo(34d)pyrimidin6yl)benzoate
ethyl4(5(4tertbutylphenyl)13dimethyl24dioxopyrrolo(34d)pyrimidin6yl)benzoate
InChI=1SC27H29N3O4c173425(32)18101420(151118)30162122(24(31)29(6)26(33)28(21)5)23(30)1781219(13917)27(23)4h816H7H216H3
MFCD04173355
ZINC000015084011
ZINC15084011
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