Vitas-M small molecule compound
methyl (1'S,2'S)-2'-(4-bromophenyl)-1,3-dioxo-1,1',2',3-tetrahydro-3a'H-spiro[indene-2,3'-pyrrolo[1,2-a]quinoline]-1'-carboxylate
Catalog ID
STK553692
SMILES COC(=O)[C@H]1N2c3ccccc3C=CC2[C@@]2([C@@H]1c1ccc(cc1)Br)C(=O)c1c(C2=O)cccc1
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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 C28H20BrNO4 MW 514.38 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H20BrNO4/c1-34-27(33)24-23(17-10-13-18(29)14-11-17)28(25(31)19-7-3-4-8-20(19)26(28)32)22-15-12-16-6-2-5-9-21(16)30(22)24/h2-15,22-24H,1H3/t22?,23-,24+/m1/s1InChIKey
AZHFMQNWSAANNP-XQFMJXHWSA-NSynonyms
1216947-07-7(1S2S)methyl2(4bromophenyl)13dioxo1233atetrahydro1Hspiro(indene23pyrrolo(12a)quinoline)1carboxylate
1216947077
COC(=O)(C@H)1N2c3ccccc3C=CC2(C@@)2((C@@H)1c1ccc(cc1)Br)C(=O)c1c(C2=O)cccc1
COC(=O)(C@H)1N2c3ccccc3C=CC2C2((C@@H)1c1ccc(cc1)Br)C(=O)c1c(C2=O)cccc1
COC(=O)C1C(C2(C3N1C4=CC=CC=C4C=C3)C(=O)C5=CC=CC=C5C2=O)C6=CC=C(C=C6)Br
InChI=1SC28H20BrNO4c13427(33)2423(17101318(29)141117)28(25(31)19734820(19)26(28)32)22151216625921(16)30(22)24h2152224H1H3t22?2324+m1s1
methyl(1S2S)2(4bromophenyl)13dioxo1123tetrahydro3aHspiro(indene23pyrrolo(12a)quinoline)1carboxylate
methyl(1S2S)2(4bromophenyl)13dioxospiro(23adihydro1Hpyrrolo(12a)quinoline32indene)1carboxylate
ZINC000008738195
ZINC000009461566
Check stock
See real-time availability and sample size for STK553692 on the Vitas-M platform.
Check stock on Vitas-MAvailable files
Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.