Vitas-M small molecule compound

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

Catalog ID
STK545118
SMILES Clc1ccc(cc1)C(=O)[C@@H]1[C@@H]2C(=O)N(C(=O)[C@@H]2C2N1N=Cc1c2cccc1)c1ccc2c(c1)OCCO2

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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 C28H20ClN3O5 MW 513.94 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H20ClN3O5/c29-17-7-5-15(6-8-17)26(33)25-23-22(24-19-4-2-1-3-16(19)14-30-32(24)25)27(34)31(28(23)35)18-9-10-20-21(13-18)37-12-11-36-20/h1-10,13-14,22-25H,11-12H2/t22-,23+,24?,25-/m0/s1
InChIKey
QQHXORBSITXSRH-NPZNXQLHSA-N
Synonyms
1014081-14-1
(8S8aR11aS)8((4chlorophenyl)carbonyl)10(23dihydro14benzodioxin6yl)11a11bdihydro8Hpyrrolo(3434)pyrrolo(21a)phthalazine911(8aH10H)dione
(8S8aR11aS)8(4chlorobenzoyl)10(23dihydrobenzo(b)(14)dioxin6yl)11a11bdihydro8Hpyrrolo(3434)pyrrolo(21a)phthalazine911(8aH10H)dione
1014081141
C1COC2=C(O1)C=CC(=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)1(C@@H)2C(=O)N(C(=O)(C@@H)2C2N1N=Cc1c2cccc1)c1ccc2c(c1)OCCO2
InChI=1SC28H20ClN3O5c29177515(6817)26(33)252322(2419421316(19)143032(24)25)27(34)31(28(23)35)189102021(1318)3712113620h11013142225H1112H2t2223+24?25m0s1
MFCD18242200
ZINC000009361111
ZINC000016038168

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Available files

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