Vitas-M small molecule compound
(1'S,2'S,3R,3a'R)-1'-acetyl-2'-[(4-bromophenyl)carbonyl]-7'-methyl-1',2'-dihydro-3a'H-spiro[indole-3,3'-pyrrolo[1,2-a]quinolin]-2(1H)-one
Catalog ID
STK598917
SMILES Brc1ccc(cc1)C(=O)[C@@H]1[C@@H](C(=O)C)N2[C@@H]([C@]31C(=O)Nc1c3cccc1)C=Cc1c2ccc(c1)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 C29H23BrN2O3 MW 527.42 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H23BrN2O3/c1-16-7-13-23-19(15-16)10-14-24-29(21-5-3-4-6-22(21)31-28(29)35)25(26(17(2)33)32(23)24)27(34)18-8-11-20(30)12-9-18/h3-15,24-26H,1-2H3,(H,31,35)/t24-,25+,26-,29-/m1/s1InChIKey
HHQMTGCKXNUNFX-GFQWBHFJSA-NSynonyms
1177147-15-7(1S2S3R3aR)1acetyl2((4bromophenyl)carbonyl)7methyl12dihydro3aHspiro(indole33pyrrolo(12a)quinolin)2(1H)one
(1S2S3R3aR)1acetyl2(4bromobenzoyl)7methyl23adihydro1Hspiro(indoline33pyrrolo(12a)quinolin)2one
(1S2S3R3aR)1acetyl2(4bromobenzoyl)7methylspiro(1Hindole3323adihydro1Hpyrrolo(12a)quinoline)2one
1177147157
Brc1ccc(cc1)C(=O)(C@@H)1(C@@H)(C(=O)C)N2(C@@H)((C@)31C(=O)Nc1c3cccc1)C=Cc1c2ccc(c1)C
CC1=CC2=C(C=C1)N3C(C=C2)C4(C(C3C(=O)C)C(=O)C5=CC=C(C=C5)Br)C6=CC=CC=C6NC4=O
InChI=1SC29H23BrN2O3c1167132319(1516)10142429(21534622(21)3128(29)35)25(26(17(2)33)32(23)24)27(34)1881120(30)12918h3152426H12H3(H3135)t2425+2629m1s1
MFCD18246102
ZINC000101094478
ZINC101094478
Check stock
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Check stock on Vitas-MAvailable files
Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.