Vitas-M small molecule compound

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

Catalog ID
STL056222
SMILES CCCc1ccc(cc1)C(=O)C1C(C(=O)c2ccc(cc2)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 C39H36N2O3 MW 580.73 g/mol Purity >90% as per NMR
InChI
InChI=1S/C39H36N2O3/c1-5-8-26-14-18-27(19-15-26)36(42)34-35(37(43)28-16-11-23(2)12-17-28)41-32-20-13-24(3)21-29(32)25(4)22-33(41)39(34)30-9-6-7-10-31(30)40-38(39)44/h6-7,9-22,33-35H,5,8H2,1-4H3,(H,40,44)
InChIKey
RDTKWHJDEOVLTE-UHFFFAOYSA-N
Synonyms

(1S2S3R3aR)57dimethyl1(4methylbenzoyl)2(4propylbenzoyl)23adihydro1Hspiro(indoline33pyrrolo(12a)quinolin)2one
57dimethyl1((4methylphenyl)carbonyl)2((4propylphenyl)carbonyl)12dihydro3aHspiro(indole33pyrrolo(12a)quinolin)2(1H)one
57dimethyl1(4methylbenzoyl)2(4propylbenzoyl)spiro(1Hindole3323adihydro1Hpyrrolo(12a)quinoline)2one
CCCC1=CC=C(C=C1)C(=O)C2C(N3C(C24C5=CC=CC=C5NC4=O)C=C(C6=C3C=CC(=C6)C)C)C(=O)C7=CC=C(C=C7)C
CCCc1ccc(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
InChI=1SC39H36N2O3c15826141827(191526)36(42)3435(37(43)28161123(2)121728)4132201324(3)2129(32)25(4)2233(41)39(34)309671031(30)4038(39)44h679223335H58H214H3(H4044)
MFCD05738615
ZINC000102896163
ZINC000245247186

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Available files

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