Vitas-M small molecule compound

(8R,8aS,11aR,11bR)-10-(1,3-benzodioxol-5-yl)-8-(phenylcarbonyl)-11a,11b-dihydro-8H-pyrrolo[3',4':3,4]pyrrolo[2,1-a]isoquinoline-9,11(8aH,10H)-dione

Catalog ID
STL526714
SMILES O=C([C@H]1[C@H]2C(=O)N(C(=O)[C@H]2[C@H]2N1C=Cc1c2cccc1)c1ccc2c(c1)OCO2)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 C28H20N2O5 MW 464.48 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H20N2O5/c31-26(17-7-2-1-3-8-17)25-23-22(24-19-9-5-4-6-16(19)12-13-29(24)25)27(32)30(28(23)33)18-10-11-20-21(14-18)35-15-34-20/h1-14,22-25H,15H2/t22-,23+,24+,25-/m1/s1
InChIKey
LHOMYQFYTVMLFV-WSOYEBOPSA-N
Synonyms
956977-04-1
(1~(R)11~(R)12~(S)16~(R))14(13benzodioxol5yl)11benzoyl1014diazatetracyclo(8600^(27)0^(1216))hexadeca2468tetraene1315dione
(8R8aS11aR11bR)10(13benzodioxol5yl)8(phenylcarbonyl)11a11bdihydro8Hpyrrolo(3434)pyrrolo(21a)isoquinoline911(8aH10H)dione
(8R8aS11aR11bR)10(benzo(d)(13)dioxol5yl)8benzoyl11a11bdihydro8Hpyrrolo(3434)pyrrolo(21a)isoquinoline911(8aH10H)dione
16397617
956977041
InChI=1SC28H20N2O5c3126(177213817)252322(2419954616(19)121329(24)25)27(32)30(28(23)33)1810112021(1418)35153420h1142225H15H2t2223+24+25m1s1
MFCD03266226
O=C((C@H)1(C@H)2C(=O)N(C(=O)(C@H)2(C@H)2N1C=Cc1c2cccc1)c1ccc2c(c1)OCO2)c1ccccc1
ZINC000049604883
ZINC49604883

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Available files

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