Vitas-M small molecule compound
(1'S,2'R,3R,3a'S)-1'-acetyl-7'-methoxy-2'-[(4-pentylphenyl)carbonyl]-1',2'-dihydro-3a'H-spiro[indole-3,3'-pyrrolo[1,2-a]quinolin]-2(1H)-one
Catalog ID
STL527294
SMILES CCCCCc1ccc(cc1)C(=O)[C@H]1[C@@H](C(=O)C)N2[C@H]([C@]31C(=O)Nc1c3cccc1)C=Cc1c2ccc(c1)OC
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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/c1-4-5-6-9-22-12-14-23(15-13-22)32(38)30-31(21(2)37)36-28-18-17-25(40-3)20-24(28)16-19-29(36)34(30)26-10-7-8-11-27(26)35-33(34)39/h7-8,10-20,29-31H,4-6,9H2,1-3H3,(H,35,39)/t29-,30+,31+,34+/m0/s1InChIKey
YBHJPAROSWUPBF-IMNMKIORSA-NSynonyms
1177721-51-5(1~(S)2~(R)3~(R)3~(a)~(S))1acetyl7methoxy2(4pentylbenzoyl)spiro(1~(H)indole3323~(a)dihydro1~(H)pyrrolo(12a)quinoline)2one
(1S2R3R3aS)1acetyl7methoxy2((4pentylphenyl)carbonyl)12dihydro3aHspiro(indole33pyrrolo(12a)quinolin)2(1H)one
(1S2R3R3aS)1acetyl7methoxy2(4pentylbenzoyl)23adihydro1Hspiro(indoline33pyrrolo(12a)quinolin)2one
1177721515
16397880
CCCCCc1ccc(cc1)C(=O)(C@H)1(C@@H)(C(=O)C)N2(C@H)((C@)31C(=O)Nc1c3cccc1)C=Cc1c2ccc(c1)OC
InChI=1SC34H34N2O4c1456922121423(151322)32(38)3031(21(2)37)3628181725(403)2024(28)161929(36)34(30)2610781127(26)3533(34)39h7810202931H469H213H3(H3539)t2930+31+34+m0s1
MFCD03267765
ZINC000070672935
ZINC70672935
Check stock
See real-time availability and sample size for STL527294 on the Vitas-M platform.
Check stock on Vitas-MAvailable files
Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.