Vitas-M small molecule compound

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

Catalog ID
STL541103
SMILES COc1ccccc1N1C(=O)[C@@H]2[C@H](C1=O)C1N([C@@H]2C(=O)c2ccc3c(c2)OCO3)C=Cc2c1cccc2

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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 C29H22N2O6 MW 494.50 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H22N2O6/c1-35-20-9-5-4-8-19(20)31-28(33)23-24(29(31)34)26(27(32)17-10-11-21-22(14-17)37-15-36-21)30-13-12-16-6-2-3-7-18(16)25(23)30/h2-14,23-26H,15H2,1H3/t23-,24+,25?,26-/m0/s1
InChIKey
QNZNUVHZYHPTHE-HLMSNRGBSA-N
Synonyms
956990-43-5
(11~(S)12~(R)16~(S))11(13benzodioxole5carbonyl)14(2methoxyphenyl)1014diazatetracyclo(8600^(27)0^(1216))hexadeca2468tetraene1315dione
(8S8aR11aS)8(13benzodioxol5ylcarbonyl)10(2methoxyphenyl)11a11bdihydro8Hpyrrolo(3434)pyrrolo(21a)isoquinoline911(8aH10H)dione
(8S8aR11aS)8(benzo(d)(13)dioxole5carbonyl)10(2methoxyphenyl)11a11bdihydro8Hpyrrolo(3434)pyrrolo(21a)isoquinoline911(8aH10H)dione
16399392
956990435
COc1ccccc1N1C(=O)(C@@H)2(C@H)(C1=O)C1N((C@@H)2C(=O)c2ccc3c(c2)OCO3)C=Cc2c1cccc2
InChI=1SC29H22N2O6c13520954819(20)3128(33)2324(29(31)34)26(27(32)1710112122(1417)37153621)30131216623718(16)25(23)30h2142326H15H21H3t2324+25?26m0s1
MFCD04143371
ZINC000026771620
ZINC000033736592

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Available files

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