Vitas-M small molecule compound
ethyl 2-[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
STL000397
SMILES CCOC(=O)c1ccccc1n1cc2c(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)19-10-8-9-11-20(19)30-16-21-22(24(31)29(6)26(33)28(21)5)23(30)17-12-14-18(15-13-17)27(2,3)4/h8-16H,7H2,1-6H3InChIKey
HSSSSTFSXSXCJH-UHFFFAOYSA-NSynonyms
847368-69-8847368698
CCOC(=O)C1=CC=CC=C1N2C=C3C(=C2C4=CC=C(C=C4)C(C)(C)C)C(=O)N(C(=O)N3C)C
ethyl2(5(4(tertbutyl)phenyl)13dimethyl24dioxo34dihydro1Hpyrrolo(34d)pyrimidin6(2H)yl)benzoate
ethyl2(5(4tertbutylphenyl)13dimethyl24dioxo1234tetrahydro6Hpyrrolo(34d)pyrimidin6yl)benzoate
ETHYL2(5(4TERTBUTYLPHENYL)13DIMETHYL24DIOXOPYRROLO(34D)PYRIMIDIN6YL)BENZOATE
InChI=1SC27H29N3O4c173425(32)1910891120(19)30162122(24(31)29(6)26(33)28(21)5)23(30)17121418(151317)27(23)4h816H7H216H3
MFCD04180948
ZINC000002235041
ZINC02235041
ZINC2235041
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