Vitas-M small molecule compound
(8S,8aR,11aS)-10-(4-methoxybenzyl)-8-[(4-nitrophenyl)carbonyl]-11a,11b-dihydro-8H-pyrrolo[3',4':3,4]pyrrolo[2,1-a]isoquinoline-9,11(8aH,10H)-dione
Catalog ID
STL052976
SMILES COc1ccc(cc1)CN1C(=O)[C@@H]2[C@H](C1=O)C1N([C@@H]2C(=O)c2ccc(cc2)[N+](=O)[O-])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 C29H23N3O6 MW 509.52 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H23N3O6/c1-38-21-12-6-17(7-13-21)16-31-28(34)23-24(29(31)35)26(27(33)19-8-10-20(11-9-19)32(36)37)30-15-14-18-4-2-3-5-22(18)25(23)30/h2-15,23-26H,16H2,1H3/t23-,24+,25?,26-/m0/s1InChIKey
FLDGCYRJHLDZTC-HLMSNRGBSA-NSynonyms
1013869-38-9(8S8aR11aS)10(4methoxybenzyl)8((4nitrophenyl)carbonyl)11a11bdihydro8Hpyrrolo(3434)pyrrolo(21a)isoquinoline911(8aH10H)dione
(8S8aR11aS)10(4methoxybenzyl)8(4nitrobenzoyl)11a11bdihydro8Hpyrrolo(3434)pyrrolo(21a)isoquinoline911(8aH10H)dione
1013869389
COC1=CC=C(C=C1)CN2C(=O)C3C(C2=O)C(N4C3C5=CC=CC=C5C=C4)C(=O)C6=CC=C(C=C6)(N+)(=O)(O)
COc1ccc(cc1)CN1C(=O)(C@@H)2(C@H)(C1=O)C1N((C@@H)2C(=O)c2ccc(cc2)(N+)(=O)(O))C=Cc2c1cccc2
InChI=1SC29H23N3O6c1382112617(71321)163128(34)2324(29(31)35)26(27(33)1981020(11919)32(36)37)30151418423522(18)25(23)30h2152326H16H21H3t2324+25?26m0s1
MFCD18249506
ZINC000016007537
ZINC000035851488
Check stock
See real-time availability and sample size for STL052976 on the Vitas-M platform.
Check stock on Vitas-MAvailable files
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