Vitas-M small molecule compound

(8R,8aS,11aR)-10-(2,3-dihydro-1,4-benzodioxin-6-yl)-8-[(4-methoxyphenyl)carbonyl]-11a,11b-dihydro-8H-pyrrolo[3',4':3,4]pyrrolo[2,1-a]phthalazine-9,11(8aH,10H)-dione

Catalog ID
STK550595
SMILES COc1ccc(cc1)C(=O)[C@@H]1N2N=Cc3c(C2[C@H]2[C@@H]1C(=O)N(C2=O)c1ccc2c(c1)OCCO2)cccc3

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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 C29H23N3O6 MW 509.52 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H23N3O6/c1-36-19-9-6-16(7-10-19)27(33)26-24-23(25-20-5-3-2-4-17(20)15-30-32(25)26)28(34)31(29(24)35)18-8-11-21-22(14-18)38-13-12-37-21/h2-11,14-15,23-26H,12-13H2,1H3/t23-,24+,25?,26-/m1/s1
InChIKey
FPVBIUUXEHHGPU-BTUDYTORSA-N
Synonyms
1014082-42-8
(8R8aS11aR)10(23dihydro14benzodioxin6yl)8((4methoxyphenyl)carbonyl)11a11bdihydro8Hpyrrolo(3434)pyrrolo(21a)phthalazine911(8aH10H)dione
(8R8aS11aR)10(23dihydrobenzo(b)(14)dioxin6yl)8(4methoxybenzoyl)11a11bdihydro8Hpyrrolo(3434)pyrrolo(21a)phthalazine911(8aH10H)dione
1014082428
COC1=CC=C(C=C1)C(=O)C2C3C(C4N2N=CC5=CC=CC=C45)C(=O)N(C3=O)C6=CC7=C(C=C6)OCCO7
COc1ccc(cc1)C(=O)(C@@H)1N2N=Cc3c(C2(C@H)2(C@@H)1C(=O)N(C2=O)c1ccc2c(c1)OCCO2)cccc3
InChI=1SC29H23N3O6c136199616(71019)27(33)262423(2520532417(20)153032(25)26)28(34)31(29(24)35)188112122(1418)3813123721h21114152326H1213H21H3t2324+25?26m1s1
MFCD18242530
ZINC000100959801
ZINC000100959806

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Available files

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