Vitas-M small molecule compound

(8S,8aR,11aS)-10-(1,3-benzodioxol-5-yl)-8-[(4-chlorophenyl)carbonyl]-11a,11b-dihydro-8H-pyrrolo[3',4':3,4]pyrrolo[2,1-a]phthalazine-9,11(8aH,10H)-dione

Catalog ID
STK547207
SMILES Clc1ccc(cc1)C(=O)[C@H]1N2N=Cc3c(C2[C@@H]2[C@H]1C(=O)N(C2=O)c1ccc2c(c1)OCO2)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 C27H18ClN3O5 MW 499.91 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H18ClN3O5/c28-16-7-5-14(6-8-16)25(32)24-22-21(23-18-4-2-1-3-15(18)12-29-31(23)24)26(33)30(27(22)34)17-9-10-19-20(11-17)36-13-35-19/h1-12,21-24H,13H2/t21-,22+,23?,24-/m0/s1
InChIKey
HNEWURDXJNGASU-UZLDWMDBSA-N
Synonyms
1014041-62-3
(8S8aR11aS)10(13benzodioxol5yl)8((4chlorophenyl)carbonyl)11a11bdihydro8Hpyrrolo(3434)pyrrolo(21a)phthalazine911(8aH10H)dione
(8S8aR11aS)10(benzo(d)(13)dioxol5yl)8(4chlorobenzoyl)11a11bdihydro8Hpyrrolo(3434)pyrrolo(21a)phthalazine911(8aH10H)dione
1014041623
C1OC2=C(O1)C=C(C=C2)N3C(=O)C4C(C3=O)C(N5C4C6=CC=CC=C6C=N5)C(=O)C7=CC=C(C=C7)Cl
Clc1ccc(cc1)C(=O)(C@H)1N2N=Cc3c(C2(C@@H)2(C@H)1C(=O)N(C2=O)c1ccc2c(c1)OCO2)cccc3
InChI=1SC27H18ClN3O5c28167514(6816)25(32)242221(2318421315(18)122931(23)24)26(33)30(27(22)34)179101920(1117)36133519h1122124H13H2t2122+23?24m0s1
MFCD18242337
ZINC000009427563
ZINC000016038256

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Available files

Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.