Vitas-M small molecule compound
10-(3-chloro-4-fluorophenyl)-8-(phenylcarbonyl)-11a,11b-dihydro-8H-pyrrolo[3',4':3,4]pyrrolo[2,1-a]phthalazine-9,11(8aH,10H)-dione
Catalog ID
STL236572
SMILES O=C(C1C2C(=O)N(C(=O)C2C2N1N=Cc1c2cccc1)c1ccc(c(c1)Cl)F)c1ccccc1
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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 C26H17ClFN3O3 MW 473.89 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H17ClFN3O3/c27-18-12-16(10-11-19(18)28)30-25(33)20-21(26(30)34)23(24(32)14-6-2-1-3-7-14)31-22(20)17-9-5-4-8-15(17)13-29-31/h1-13,20-23HInChIKey
NKIHNNUESUQASV-UHFFFAOYSA-NSynonyms
(8R8aS11aR)8benzoyl10(3chloro4fluorophenyl)11a11bdihydro8Hpyrrolo(3434)pyrrolo(21a)phthalazine911(8aH10H)dione
10(3chloro4fluorophenyl)8(phenylcarbonyl)11a11bdihydro8Hpyrrolo(3434)pyrrolo(21a)phthalazine911(8aH10H)dione
C1=CC=C(C=C1)C(=O)C2C3C(C4N2N=CC5=CC=CC=C45)C(=O)N(C3=O)C6=CC(=C(C=C6)F)Cl
InChI=1SC26H17ClFN3O3c27181216(101119(18)28)3025(33)2021(26(30)34)23(24(32)146213714)3122(20)17954815(17)132931h1132023H
MFCD24858648
O=C((C@H)1(C@H)2C(=O)N(C(=O)(C@H)2C2N1N=Cc1c2cccc1)c1ccc(c(c1)Cl)F)c1ccccc1
ZINC000015998966
ZINC000247875058
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