Vitas-M small molecule compound
1'-(2,2-dimethylpropanoyl)-2'-[(4-methoxyphenyl)carbonyl]-5',7'-dimethyl-1',2'-dihydro-3a'H-spiro[indole-3,3'-pyrrolo[1,2-a]quinolin]-2(1H)-one
Catalog ID
STL236844
SMILES COc1ccc(cc1)C(=O)C1C(N2C(C31C(=O)Nc1c3cccc1)C=C(c1c2ccc(c1)C)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 C34H34N2O4 MW 534.66 g/mol Purity >90% as per NMR
InChI
InChI=1S/C34H34N2O4/c1-19-11-16-26-23(17-19)20(2)18-27-34(24-9-7-8-10-25(24)35-32(34)39)28(29(36(26)27)31(38)33(3,4)5)30(37)21-12-14-22(40-6)15-13-21/h7-18,27-29H,1-6H3,(H,35,39)InChIKey
KMIKRSANLJWQSH-UHFFFAOYSA-NSynonyms
(1S2S3R3aR)2(4methoxybenzoyl)57dimethyl1pivaloyl23adihydro1Hspiro(indoline33pyrrolo(12a)quinolin)2one
1(22dimethylpropanoyl)2((4methoxyphenyl)carbonyl)57dimethyl12dihydro3aHspiro(indole33pyrrolo(12a)quinolin)2(1H)one
1(22dimethylpropanoyl)2(4methoxybenzoyl)57dimethylspiro(1Hindole3323adihydro1Hpyrrolo(12a)quinoline)2one
CC1=CC2=C(C=C1)N3C(C=C2C)C4(C(C3C(=O)C(C)(C)C)C(=O)C5=CC=C(C=C5)OC)C6=CC=CC=C6NC4=O
COc1ccc(cc1)C(=O)(C@@H)1(C@H)(N2(C@@H)((C@)31C(=O)Nc1c3cccc1)C=C(c1c2ccc(c1)C)C)C(=O)C(C)(C)C
InChI=1SC34H34N2O4c11911162623(1719)20(2)182734(249781025(24)3532(34)39)28(29(36(26)27)31(38)33(34)5)30(37)21121422(406)151321h7182729H16H3(H3539)
MFCD07207429
ZINC000106535950
ZINC000248255271
Check stock
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Check stock on Vitas-MAvailable files
Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.