Vitas-M small molecule compound

(1'S,2'S,3R,3a'R)-1'-(2,2-dimethylpropanoyl)-2'-[(4-methoxyphenyl)carbonyl]-7'-methyl-1',2'-dihydro-3a'H-spiro[indole-3,3'-pyrrolo[1,2-a]quinolin]-2(1H)-one

Catalog ID
STK570950
SMILES COc1ccc(cc1)C(=O)[C@@H]1[C@H](N2[C@@H]([C@]31C(=O)Nc1c3cccc1)C=Cc1c2ccc(c1)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 C33H32N2O4 MW 520.63 g/mol Purity >90% as per NMR
InChI
InChI=1S/C33H32N2O4/c1-19-10-16-25-21(18-19)13-17-26-33(23-8-6-7-9-24(23)34-31(33)38)27(28(35(25)26)30(37)32(2,3)4)29(36)20-11-14-22(39-5)15-12-20/h6-18,26-28H,1-5H3,(H,34,38)/t26-,27+,28+,33-/m1/s1
InChIKey
ZONSMTTUWXJUPS-XAEBNIDXSA-N
Synonyms
1177515-46-6
(1S2S3R3aR)1(22dimethylpropanoyl)2((4methoxyphenyl)carbonyl)7methyl12dihydro3aHspiro(indole33pyrrolo(12a)quinolin)2(1H)one
(1S2S3R3aR)1(22dimethylpropanoyl)2(4methoxybenzoyl)7methylspiro(1Hindole3323adihydro1Hpyrrolo(12a)quinoline)2one
(1S2S3R3aR)2(4methoxybenzoyl)7methyl1pivaloyl23adihydro1Hspiro(indoline33pyrrolo(12a)quinolin)2one
1177515466
CC1=CC2=C(C=C1)N3C(C=C2)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=Cc1c2ccc(c1)C)C(=O)C(C)(C)C
InChI=1SC33H32N2O4c11910162521(1819)13172633(23867924(23)3431(33)38)27(28(35(25)26)30(37)32(23)4)29(36)20111422(395)151220h6182628H15H3(H3438)t2627+28+33m1s1
MFCD18245398
ZINC000101100585
ZINC101100585

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Available files

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