Vitas-M small molecule compound
(1'S,2'S,3R,3a'R)-1'-acetyl-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
STL530282
SMILES COc1ccc(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 C30H26N2O4 MW 478.55 g/mol Purity >90% as per NMR
InChI
InChI=1S/C30H26N2O4/c1-17-8-14-24-20(16-17)11-15-25-30(22-6-4-5-7-23(22)31-29(30)35)26(27(18(2)33)32(24)25)28(34)19-9-12-21(36-3)13-10-19/h4-16,25-27H,1-3H3,(H,31,35)/t25-,26+,27-,30-/m1/s1InChIKey
OVCLCLNFNQMHCT-UUROJUAVSA-NSynonyms
1177863-51-2(1~(S)2~(S)3~(R)3~(a)~(R))1acetyl2(4methoxybenzoyl)7methylspiro(1~(H)indole3323~(a)dihydro1~(H)pyrrolo(12a)quinoline)2one
(1S2S3R3aR)1acetyl2((4methoxyphenyl)carbonyl)7methyl12dihydro3aHspiro(indole33pyrrolo(12a)quinolin)2(1H)one
(1S2S3R3aR)1acetyl2(4methoxybenzoyl)7methyl23adihydro1Hspiro(indoline33pyrrolo(12a)quinolin)2one
1177863512
16399856
COc1ccc(cc1)C(=O)(C@@H)1(C@@H)(C(=O)C)N2(C@@H)((C@)31C(=O)Nc1c3cccc1)C=Cc1c2ccc(c1)C
InChI=1SC30H26N2O4c1178142420(1617)11152530(22645723(22)3129(30)35)26(27(18(2)33)32(24)25)28(34)1991221(363)131019h4162527H13H3(H3135)t2526+2730m1s1
MFCD04146114
ZINC000008917925
ZINC8917925
Check stock
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Check stock on Vitas-MAvailable files
Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.