Vitas-M small molecule compound
(8S,8aR,11aS)-8-(1,3-benzodioxol-5-ylcarbonyl)-10-(4-methoxyphenyl)-11a,11b-dihydro-8H-pyrrolo[3',4':3,4]pyrrolo[2,1-a]isoquinoline-9,11(8aH,10H)-dione
Catalog ID
STK609212
SMILES COc1ccc(cc1)N1C(=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/c1-35-19-9-7-18(8-10-19)31-28(33)23-24(29(31)34)26(27(32)17-6-11-21-22(14-17)37-15-36-21)30-13-12-16-4-2-3-5-20(16)25(23)30/h2-14,23-26H,15H2,1H3/t23-,24+,25?,26-/m0/s1InChIKey
NEILTSHMWGWIFX-HLMSNRGBSA-NSynonyms
1013869-46-9(8S8aR11aS)8(13benzodioxol5ylcarbonyl)10(4methoxyphenyl)11a11bdihydro8Hpyrrolo(3434)pyrrolo(21a)isoquinoline911(8aH10H)dione
(8S8aR11aS)8(benzo(d)(13)dioxole5carbonyl)10(4methoxyphenyl)11a11bdihydro8Hpyrrolo(3434)pyrrolo(21a)isoquinoline911(8aH10H)dione
1013869469
COC1=CC=C(C=C1)N2C(=O)C3C(C2=O)C(N4C3C5=CC=CC=C5C=C4)C(=O)C6=CC7=C(C=C6)OCO7
COc1ccc(cc1)N1C(=O)(C@@H)2(C@H)(C1=O)C1N((C@@H)2C(=O)c2ccc3c(c2)OCO3)C=Cc2c1cccc2
InChI=1SC29H22N2O6c135199718(81019)3128(33)2324(29(31)34)26(27(32)176112122(1417)37153621)30131216423520(16)25(23)30h2142326H15H21H3t2324+25?26m0s1
MFCD18246252
ZINC000018211344
ZINC000034837664
Check stock
See real-time availability and sample size for STK609212 on the Vitas-M platform.
Check stock on Vitas-MAvailable files
Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.