Vitas-M small molecule compound
10-benzyl-8-[(3,4-dimethoxyphenyl)carbonyl]-11a,11b-dihydro-8H-pyrrolo[3',4':3,4]pyrrolo[2,1-a]isoquinoline-9,11(8aH,10H)-dione
Catalog ID
STL238654
SMILES COc1ccc(cc1OC)C(=O)C1C2C(=O)N(C(=O)C2C2N1C=Cc1c2cccc1)Cc1ccccc1
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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 C30H26N2O5 MW 494.55 g/mol Purity >90% as per NMR
InChI
InChI=1S/C30H26N2O5/c1-36-22-13-12-20(16-23(22)37-2)28(33)27-25-24(26-21-11-7-6-10-19(21)14-15-31(26)27)29(34)32(30(25)35)17-18-8-4-3-5-9-18/h3-16,24-27H,17H2,1-2H3InChIKey
NUPSAUAXFWWNEM-UHFFFAOYSA-NSynonyms
(8S8aR11aS)10benzyl8(34dimethoxybenzoyl)11a11bdihydro8Hpyrrolo(3434)pyrrolo(21a)isoquinoline911(8aH10H)dione
10benzyl8((34dimethoxyphenyl)carbonyl)11a11bdihydro8Hpyrrolo(3434)pyrrolo(21a)isoquinoline911(8aH10H)dione
COC1=C(C=C(C=C1)C(=O)C2C3C(C4N2C=CC5=CC=CC=C45)C(=O)N(C3=O)CC6=CC=CC=C6)OC
COc1ccc(cc1OC)C(=O)(C@@H)1(C@@H)2C(=O)N(C(=O)(C@@H)2C2N1C=Cc1c2cccc1)Cc1ccccc1
InChI=1SC30H26N2O5c13622131220(1623(22)372)28(33)272524(262111761019(21)141531(26)27)29(34)32(30(25)35)17188435918h3162427H17H212H3
MFCD24858833
ZINC000013770738
ZINC000247919285
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