Vitas-M small molecule compound
(4aR,4bS,7aR,8S)-8-[(3,4-dimethoxyphenyl)carbonyl]-6-(naphthalen-1-yl)-7a,8-dihydro-4aH-pyrrolo[3',4':3,4]pyrrolo[1,2-b]pyridazine-5,7(4bH,6H)-dione
Catalog ID
STK556928
SMILES COc1cc(ccc1OC)C(=O)[C@H]1N2N=CC=C[C@@H]2[C@@H]2[C@H]1C(=O)N(C2=O)c1cccc2c1cccc2
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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 C28H23N3O5 MW 481.51 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H23N3O5/c1-35-21-13-12-17(15-22(21)36-2)26(32)25-24-23(20-11-6-14-29-31(20)25)27(33)30(28(24)34)19-10-5-8-16-7-3-4-9-18(16)19/h3-15,20,23-25H,1-2H3/t20-,23-,24-,25+/m1/s1InChIKey
CREKLQNYVJDFPW-HVHOJJEHSA-NSynonyms
1013792-70-5(3aR4S9aR9bS)4(34dimethoxybenzoyl)2naphthalen1yl3a49a9btetrahydropyrrolo(12)pyrrolo(35b)pyridazine13dione
(4aR4bS7aR8S)8((34dimethoxyphenyl)carbonyl)6(naphthalen1yl)7a8dihydro4aHpyrrolo(3434)pyrrolo(12b)pyridazine57(4bH6H)dione
(4aR4bS7aR8S)8(34dimethoxybenzoyl)6(naphthalen1yl)7a8dihydro4aHpyrrolo(3434)pyrrolo(12b)pyridazine57(4bH6H)dione
1013792705
COC1=C(C=C(C=C1)C(=O)C2C3C(C4N2N=CC=C4)C(=O)N(C3=O)C5=CC=CC6=CC=CC=C65)OC
COc1cc(ccc1OC)C(=O)(C@H)1N2N=CC=C(C@@H)2(C@@H)2(C@H)1C(=O)N(C2=O)c1cccc2c1cccc2
InChI=1SC28H23N3O5c13521131217(1522(21)362)26(32)252423(20116142931(20)25)27(33)30(28(24)34)19105816734918(16)19h315202325H12H3t20232425+m1s1
MFCD18242968
ZINC000008742405
ZINC08742405
ZINC8742405
Check stock
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Check stock on Vitas-MAvailable files
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