Vitas-M small molecule compound

5',7'-dimethyl-1'-[(4-methylphenyl)carbonyl]-2'-{[4-(2-methylpropyl)phenyl]carbonyl}-1',2'-dihydro-3a'H-spiro[indole-3,3'-pyrrolo[1,2-a]quinolin]-2(1H)-one

Catalog ID
STL050185
SMILES CC(Cc1ccc(cc1)C(=O)C1C(C(=O)c2ccc(cc2)C)N2C(C31C(=O)Nc1c3cccc1)C=C(c1c2ccc(c1)C)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 C40H38N2O3 MW 594.75 g/mol Purity >90% as per NMR
InChI
InChI=1S/C40H38N2O3/c1-23(2)20-27-13-17-28(18-14-27)37(43)35-36(38(44)29-15-10-24(3)11-16-29)42-33-19-12-25(4)21-30(33)26(5)22-34(42)40(35)31-8-6-7-9-32(31)41-39(40)45/h6-19,21-23,34-36H,20H2,1-5H3,(H,41,45)
InChIKey
HYIHZOXHVDKUTQ-UHFFFAOYSA-N
Synonyms

(1S2S3R3aR)2(4isobutylbenzoyl)57dimethyl1(4methylbenzoyl)23adihydro1Hspiro(indoline33pyrrolo(12a)quinolin)2one
57dimethyl1((4methylphenyl)carbonyl)2((4(2methylpropyl)phenyl)carbonyl)12dihydro3aHspiro(indole33pyrrolo(12a)quinolin)2(1H)one
57dimethyl1(4methylbenzoyl)2(4(2methylpropyl)benzoyl)spiro(1Hindole3323adihydro1Hpyrrolo(12a)quinoline)2one
CC(Cc1ccc(cc1)C(=O)(C@@H)1(C@@H)(C(=O)c2ccc(cc2)C)N2(C@@H)((C@)31C(=O)Nc1c3cccc1)C=C(c1c2ccc(c1)C)C)C
CC1=CC=C(C=C1)C(=O)C2C(C3(C4N2C5=C(C=C(C=C5)C)C(=C4)C)C6=CC=CC=C6NC3=O)C(=O)C7=CC=C(C=C7)CC(C)C
InChI=1SC40H38N2O3c123(2)2027131728(181427)37(43)3536(38(44)29151024(3)111629)4233191225(4)2130(33)26(5)2234(42)40(35)31867932(31)4139(40)45h61921233436H20H215H3(H4145)
MFCD05732828
ZINC000227231078
ZINC000245246095

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Available files

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