Vitas-M small molecule compound
10-(1,3-benzodioxol-5-yl)-9,11-dioxo-N-phenyl-8a,9,10,11,11a,11b-hexahydro-8H-pyrrolo[3',4':3,4]pyrrolo[2,1-a]phthalazine-8-carboxamide
Catalog ID
STL238775
SMILES O=C(C1N2N=Cc3c(C2C2C1C(=O)N(C2=O)c1ccc2c(c1)OCO2)cccc3)Nc1ccccc1
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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 C27H20N4O5 MW 480.48 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H20N4O5/c32-25(29-16-7-2-1-3-8-16)24-22-21(23-18-9-5-4-6-15(18)13-28-31(23)24)26(33)30(27(22)34)17-10-11-19-20(12-17)36-14-35-19/h1-13,21-24H,14H2,(H,29,32)InChIKey
OJHUXZMWWNUPKG-UHFFFAOYSA-NSynonyms
(8R8aS11aR)10(benzo(d)(13)dioxol5yl)911dioxoNphenyl8a9101111a11bhexahydro8Hpyrrolo(3434)pyrrolo(21a)phthalazine8carboxamide
10(13benzodioxol5yl)911dioxoNphenyl8a9101111a11bhexahydro8Hpyrrolo(3434)pyrrolo(21a)phthalazine8carboxamide
C1OC2=C(O1)C=C(C=C2)N3C(=O)C4C(C3=O)C(N5C4C6=CC=CC=C6C=N5)C(=O)NC7=CC=CC=C7
InChI=1SC27H20N4O5c3225(29167213816)242221(2318954615(18)132831(23)24)26(33)30(27(22)34)1710111920(1217)36143519h1132124H14H2(H2932)
MFCD24858843
O=C((C@@H)1N2N=Cc3c(C2(C@H)2(C@@H)1C(=O)N(C2=O)c1ccc2c(c1)OCO2)cccc3)Nc1ccccc1
ZINC000101343925
ZINC000252517669
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