Vitas-M small molecule compound
(2R,3R)-3-[(4-methoxyphenyl)carbonyl]-2-phenyl-2,3-dihydropyrrolo[2,1-a]phthalazine-1,1(10bH)-dicarbonitrile
Catalog ID
STK552172
SMILES N#CC1(C#N)[C@@H](c2ccccc2)[C@@H](N2C1c1ccccc1C=N2)C(=O)c1ccc(cc1)OC
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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 C27H20N4O2 MW 432.48 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H20N4O2/c1-33-21-13-11-19(12-14-21)25(32)24-23(18-7-3-2-4-8-18)27(16-28,17-29)26-22-10-6-5-9-20(22)15-30-31(24)26/h2-15,23-24,26H,1H3/t23-,24+,26?/m0/s1InChIKey
CTNZWWMOANDXMJ-GPTJOGTASA-NSynonyms
1014060-95-7(2R3R)3((4methoxyphenyl)carbonyl)2phenyl23dihydropyrrolo(21a)phthalazine11(10bH)dicarbonitrile
(2R3R)3(4methoxybenzoyl)2phenyl23dihydropyrrolo(21a)phthalazine11(10bH)dicarbonitrile
(2R3R)3(4methoxybenzoyl)2phenyl310bdihydro2Hpyrrolo(21a)phthalazine11dicarbonitrile
1014060957
COC1=CC=C(C=C1)C(=O)C2C(C(C3N2N=CC4=CC=CC=C34)(C#N)C#N)C5=CC=CC=C5
InChI=1SC27H20N4O2c13321131119(121421)25(32)2423(187324818)27(16281729)26221065920(22)153031(24)26h215232426H1H3t2324+26?m0s1
MFCD18242628
N#CC1(C#N)(C@@H)(c2ccccc2)(C@@H)(N2C1c1ccccc1C=N2)C(=O)c1ccc(cc1)OC
ZINC000009331750
ZINC000009428369
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