Vitas-M small molecule compound
1'-(2,2-dimethylpropanoyl)-5'-methyl-2'-[(3,4,5-trimethoxyphenyl)carbonyl]-1',2'-dihydro-3a'H-spiro[indole-3,3'-pyrrolo[1,2-a]quinolin]-2(1H)-one
Catalog ID
STL054589
SMILES COc1c(OC)cc(cc1OC)C(=O)C1C(N2C(C31C(=O)Nc1c3cccc1)C=C(c1c2cccc1)C)C(=O)C(C)(C)C
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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 C35H36N2O6 MW 580.68 g/mol Purity >90% as per NMR
InChI
InChI=1S/C35H36N2O6/c1-19-16-27-35(22-13-9-10-14-23(22)36-33(35)40)28(30(38)20-17-25(41-5)31(43-7)26(18-20)42-6)29(32(39)34(2,3)4)37(27)24-15-11-8-12-21(19)24/h8-18,27-29H,1-7H3,(H,36,40)InChIKey
NCMPEINVANYLAC-UHFFFAOYSA-NSynonyms
(1S2S3R3aR)5methyl1pivaloyl2(345trimethoxybenzoyl)23adihydro1Hspiro(indoline33pyrrolo(12a)quinolin)2one
1(22dimethylpropanoyl)5methyl2((345trimethoxyphenyl)carbonyl)12dihydro3aHspiro(indole33pyrrolo(12a)quinolin)2(1H)one
1(22dimethylpropanoyl)5methyl2(345trimethoxybenzoyl)spiro(1Hindole3323adihydro1Hpyrrolo(12a)quinoline)2one
CC1=CC2C3(C(C(N2C4=CC=CC=C14)C(=O)C(C)(C)C)C(=O)C5=CC(=C(C(=C5)OC)OC)OC)C6=CC=CC=C6NC3=O
COc1c(OC)cc(cc1OC)C(=O)(C@@H)1(C@H)(N2(C@@H)((C@)31C(=O)Nc1c3cccc1)C=C(c1c2cccc1)C)C(=O)C(C)(C)C
InChI=1SC35H36N2O6c119162735(22139101423(22)3633(35)40)28(30(38)201725(415)31(437)26(1820)426)29(32(39)34(23)4)37(27)24151181221(19)24h8182729H17H3(H3640)
MFCD05727134
ZINC000001237358
ZINC000102893830
Check stock
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Check stock on Vitas-MAvailable files
Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.