Vitas-M small molecule compound
(1'S,2'S,3R,3a'R)-1'-acetyl-2'-[(4-methoxyphenyl)carbonyl]-5'-methyl-1',2'-dihydro-3a'H-spiro[indole-3,3'-pyrrolo[1,2-a]quinolin]-2(1H)-one
Catalog ID
STL536904
SMILES COc1ccc(cc1)C(=O)[C@@H]1[C@@H](C(=O)C)N2[C@@H]([C@]31C(=O)Nc1c3cccc1)C=C(c1c2cccc1)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 C30H26N2O4 MW 478.55 g/mol Purity >90% as per NMR
InChI
InChI=1S/C30H26N2O4/c1-17-16-25-30(22-9-5-6-10-23(22)31-29(30)35)26(28(34)19-12-14-20(36-3)15-13-19)27(18(2)33)32(25)24-11-7-4-8-21(17)24/h4-16,25-27H,1-3H3,(H,31,35)/t25-,26+,27-,30-/m1/s1InChIKey
MIECVLQQHMNOOO-UUROJUAVSA-NSynonyms
1177141-72-8(1~(S)2~(S)3~(R)3~(a)~(R))1acetyl2(4methoxybenzoyl)5methylspiro(1~(H)indole3323~(a)dihydro1~(H)pyrrolo(12a)quinoline)2one
(1S2S3R3aR)1acetyl2((4methoxyphenyl)carbonyl)5methyl12dihydro3aHspiro(indole33pyrrolo(12a)quinolin)2(1H)one
(1S2S3R3aR)1acetyl2(4methoxybenzoyl)5methyl23adihydro1Hspiro(indoline33pyrrolo(12a)quinolin)2one
1177141728
16399483
COc1ccc(cc1)C(=O)(C@@H)1(C@@H)(C(=O)C)N2(C@@H)((C@)31C(=O)Nc1c3cccc1)C=C(c1c2cccc1)C
InChI=1SC30H26N2O4c117162530(229561023(22)3129(30)35)26(28(34)19121420(363)151319)27(18(2)33)32(25)241174821(17)24h4162527H13H3(H3135)t2526+2730m1s1
MFCD04143941
ZINC000008917757
ZINC8917757
Check stock
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Check stock on Vitas-MAvailable files
Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.