Vitas-M small molecule compound
butyl 4-[(8S,8aR,11aS)-9,11-dioxo-8-(phenylcarbonyl)-8a,9,11a,11b-tetrahydro-8H-pyrrolo[3',4':3,4]pyrrolo[2,1-a]phthalazin-10(11H)-yl]benzoate
Catalog ID
STK545249
SMILES CCCCOC(=O)c1ccc(cc1)N1C(=O)[C@H]2[C@@H](C1=O)[C@H](N1C2c2ccccc2C=N1)C(=O)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 C31H27N3O5 MW 521.57 g/mol Purity >90% as per NMR
InChI
InChI=1S/C31H27N3O5/c1-2-3-17-39-31(38)20-13-15-22(16-14-20)33-29(36)24-25(30(33)37)27(28(35)19-9-5-4-6-10-19)34-26(24)23-12-8-7-11-21(23)18-32-34/h4-16,18,24-27H,2-3,17H2,1H3/t24-,25+,26?,27-/m0/s1InChIKey
MAQPCUQXTOGYFK-UEEAVMEZSA-NSynonyms
1014083-05-61014083056
butyl4((8S8aR11aS)8benzoyl911dioxo8a91111atetrahydro8Hpyrrolo(3434)pyrrolo(21a)phthalazin10(11bH)yl)benzoate
butyl4((8S8aR11aS)911dioxo8(phenylcarbonyl)8a911a11btetrahydro8Hpyrrolo(3434)pyrrolo(21a)phthalazin10(11H)yl)benzoate
CCCCOC(=O)C1=CC=C(C=C1)N2C(=O)C3C(C2=O)C(N4C3C5=CC=CC=C5C=N4)C(=O)C6=CC=CC=C6
CCCCOC(=O)c1ccc(cc1)N1C(=O)(C@H)2(C@@H)(C1=O)(C@H)(N1C2c2ccccc2C=N1)C(=O)c1ccccc1
InChI=1SC31H27N3O5c123173931(38)20131522(161420)3329(36)2425(30(33)37)27(28(35)1995461019)3426(24)2312871121(23)183234h416182427H2317H21H3t2425+26?27m0s1
MFCD18242207
ZINC000100915801
ZINC000100915804
Check stock
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Check stock on Vitas-MAvailable files
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