Vitas-M small molecule compound
1'-acetyl-2'-[(3-methoxyphenyl)carbonyl]-5',7'-dimethyl-1',2'-dihydro-3a'H-spiro[indole-3,3'-pyrrolo[1,2-a]quinolin]-2(1H)-one
Catalog ID
STL542163
SMILES COc1cccc(c1)C(=O)C1C(C(=O)C)N2C(C31C(=O)Nc1c3cccc1)C=C(c1c2ccc(c1)C)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 C31H28N2O4 MW 492.57 g/mol Purity >90% as per NMR
InChI
InChI=1S/C31H28N2O4/c1-17-12-13-25-22(14-17)18(2)15-26-31(23-10-5-6-11-24(23)32-30(31)36)27(28(19(3)34)33(25)26)29(35)20-8-7-9-21(16-20)37-4/h5-16,26-28H,1-4H3,(H,32,36)InChIKey
MIHIDZHCFPGEFR-UHFFFAOYSA-NSynonyms
(1S2S3R3aR)1acetyl2(3methoxybenzoyl)57dimethyl23adihydro1Hspiro(indoline33pyrrolo(12a)quinolin)2one
1acetyl2((3methoxyphenyl)carbonyl)57dimethyl12dihydro3aHspiro(indole33pyrrolo(12a)quinolin)2(1H)one
1acetyl2(3methoxybenzoyl)57dimethylspiro(1~(H)indole3323~(a)dihydro1~(H)pyrrolo(12a)quinoline)2one
4312136
COc1cccc(c1)C(=O)(C@@H)1(C@@H)(C(=O)C)N2(C@@H)((C@)31C(=O)Nc1c3cccc1)C=C(c1c2ccc(c1)C)C
InChI=1SC31H28N2O4c11712132522(1417)18(2)152631(2310561124(23)3230(31)36)27(28(19(3)34)33(25)26)29(35)2087921(1620)374h5162628H14H3(H3236)
MFCD31755527
ZINC000015954636
ZINC000504716586
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