Vitas-M small molecule compound
(8S,8aR,11aS)-8-[(4-methoxyphenyl)carbonyl]-10-(2-methyl-5-nitrophenyl)-11a,11b-dihydro-8H-pyrrolo[3',4':3,4]pyrrolo[2,1-a]isoquinoline-9,11(8aH,10H)-dione
Catalog ID
STK548884
SMILES COc1ccc(cc1)C(=O)[C@H]1N2C=Cc3c(C2[C@@H]2[C@H]1C(=O)N(C2=O)c1cc(ccc1C)[N+](=O)[O-])cccc3
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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/c1-16-7-10-19(32(36)37)15-22(16)31-28(34)23-24(29(31)35)26(27(33)18-8-11-20(38-2)12-9-18)30-14-13-17-5-3-4-6-21(17)25(23)30/h3-15,23-26H,1-2H3/t23-,24+,25?,26-/m0/s1InChIKey
HGLVIFNJPCFVLH-HLMSNRGBSA-NSynonyms
956917-85-4(8S8aR11aS)8((4methoxyphenyl)carbonyl)10(2methyl5nitrophenyl)11a11bdihydro8Hpyrrolo(3434)pyrrolo(21a)isoquinoline911(8aH10H)dione
(8S8aR11aS)8(4methoxybenzoyl)10(2methyl5nitrophenyl)11a11bdihydro8Hpyrrolo(3434)pyrrolo(21a)isoquinoline911(8aH10H)dione
956917854
CC1=C(C=C(C=C1)(N+)(=O)(O))N2C(=O)C3C(C2=O)C(N4C3C5=CC=CC=C5C=C4)C(=O)C6=CC=C(C=C6)OC
COc1ccc(cc1)C(=O)(C@H)1N2C=Cc3c(C2(C@@H)2(C@H)1C(=O)N(C2=O)c1cc(ccc1C)(N+)(=O)(O))cccc3
InChI=1SC29H23N3O6c11671019(32(36)37)1522(16)3128(34)2324(29(31)35)26(27(33)1881120(382)12918)30141317534621(17)25(23)30h3152326H12H3t2324+25?26m0s1
MFCD18242444
ZINC000009088325
ZINC000009088326
Check stock
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Check stock on Vitas-MAvailable files
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