Vitas-M small molecule compound
1'-acetyl-5',7'-dimethyl-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
STL542546
SMILES CC(Cc1ccc(cc1)C(=O)C1C(C(=O)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 C34H34N2O3 MW 518.66 g/mol Purity >90% as per NMR
InChI
InChI=1S/C34H34N2O3/c1-19(2)16-23-11-13-24(14-12-23)32(38)30-31(22(5)37)36-28-15-10-20(3)17-25(28)21(4)18-29(36)34(30)26-8-6-7-9-27(26)35-33(34)39/h6-15,17-19,29-31H,16H2,1-5H3,(H,35,39)InChIKey
JRXKVGXPQTVZDF-UHFFFAOYSA-NSynonyms
(1S2S3R3aR)1acetyl2(4isobutylbenzoyl)57dimethyl23adihydro1Hspiro(indoline33pyrrolo(12a)quinolin)2one
1acetyl57dimethyl2((4(2methylpropyl)phenyl)carbonyl)12dihydro3aHspiro(indole33pyrrolo(12a)quinolin)2(1H)one
1acetyl57dimethyl2(4(2methylpropyl)benzoyl)spiro(1~(H)indole3323~(a)dihydro1~(H)pyrrolo(12a)quinoline)2one
3768598
CC(Cc1ccc(cc1)C(=O)(C@@H)1(C@@H)(C(=O)C)N2(C@@H)((C@)31C(=O)Nc1c3cccc1)C=C(c1c2ccc(c1)C)C)C
InChI=1SC34H34N2O3c119(2)1623111324(141223)32(38)3031(22(5)37)3628151020(3)1725(28)21(4)1829(36)34(30)26867927(26)3533(34)39h61517192931H16H215H3(H3539)
MFCD31755660
ZINC000026772011
ZINC000504736042
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