Vitas-M small molecule compound

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

Catalog ID
STL541431
SMILES O=C1N(c2ccc3c(c2)OCO3)C(=O)[C@@H]2[C@H]1C1c3ccccc3C=CN1[C@@H]2C(=O)c1ccc2c(c1)OCO2

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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 C29H20N2O7 MW 508.49 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H20N2O7/c32-27(16-5-7-19-21(11-16)37-13-35-19)26-24-23(25-18-4-2-1-3-15(18)9-10-30(25)26)28(33)31(29(24)34)17-6-8-20-22(12-17)38-14-36-20/h1-12,23-26H,13-14H2/t23-,24+,25?,26-/m0/s1
InChIKey
OBRSQMGKGLVSLE-HLMSNRGBSA-N
Synonyms
957043-34-4
(11~(S)12~(R)16~(S))11(13benzodioxole5carbonyl)14(13benzodioxol5yl)1014diazatetracyclo(8600^(27)0^(1216))hexadeca2468tetraene1315dione
(8S8aR11aS)10(13benzodioxol5yl)8(13benzodioxol5ylcarbonyl)11a11bdihydro8Hpyrrolo(3434)pyrrolo(21a)isoquinoline911(8aH10H)dione
(8S8aR11aS)10(benzo(d)(13)dioxol5yl)8(benzo(d)(13)dioxole5carbonyl)11a11bdihydro8Hpyrrolo(3434)pyrrolo(21a)isoquinoline911(8aH10H)dione
16400013
957043344
InChI=1SC29H20N2O7c3227(16571921(1116)37133519)262423(2518421315(18)91030(25)26)28(33)31(29(24)34)17682022(1217)38143620h1122326H1314H2t2324+25?26m0s1
MFCD04147085
O=C1N(c2ccc3c(c2)OCO3)C(=O)(C@@H)2(C@H)1C1c3ccccc3C=CN1(C@@H)2C(=O)c1ccc2c(c1)OCO2
ZINC000015953890
ZINC000070686988

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Available files

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