Vitas-M small molecule compound
(6aR,6bS,9aR,10S)-10-[(3,4-dimethoxyphenyl)carbonyl]-8-(4-methylphenyl)-9a,10-dihydro-6aH-pyrrolo[3',4':3,4]pyrrolo[1,2-a]quinoline-7,9(6bH,8H)-dione
Catalog ID
STK539923
SMILES COc1ccc(cc1OC)C(=O)[C@H]1N2[C@@H]([C@@H]3[C@H]1C(=O)N(C3=O)c1ccc(cc1)C)C=Cc1c2cccc1
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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/c1-17-8-12-20(13-9-17)31-29(34)25-22-14-10-18-6-4-5-7-21(18)32(22)27(26(25)30(31)35)28(33)19-11-15-23(36-2)24(16-19)37-3/h4-16,22,25-27H,1-3H3/t22-,25-,26-,27+/m1/s1InChIKey
VDEQZKIRUVRZCX-WELLZUMNSA-NSynonyms
445462-50-0(6aR6bS9aR10S)10((34dimethoxyphenyl)carbonyl)8(4methylphenyl)9a10dihydro6aHpyrrolo(3434)pyrrolo(12a)quinoline79(6bH8H)dione
(6aR6bS9aR10S)10(34dimethoxybenzoyl)8(ptolyl)9a10dihydro6aHpyrrolo(3434)pyrrolo(12a)quinoline79(6bH8H)dione
445462500
CC1=CC=C(C=C1)N2C(=O)C3C4C=CC5=CC=CC=C5N4C(C3C2=O)C(=O)C6=CC(=C(C=C6)OC)OC
COc1ccc(cc1OC)C(=O)(C@H)1N2(C@@H)((C@@H)3(C@H)1C(=O)N(C3=O)c1ccc(cc1)C)C=Cc1c2cccc1
InChI=1SC30H26N2O5c11781220(13917)3129(34)2522141018645721(18)32(22)27(26(25)30(31)35)28(33)19111523(362)24(1619)373h416222527H13H3t22252627+m1s1
MFCD18241796
ZINC000100818595
ZINC100818595
Check stock
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Check stock on Vitas-MAvailable files
Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.