Vitas-M small molecule compound
2-amino-6',6',8'-trimethyl-2',5-dioxo-5,5',6,6',7,8-hexahydrodispiro[chromene-4,1'-pyrrolo[3,2,1-ij]quinoline-4',1''-cycloheptane]-3-carbonitrile
Catalog ID
STL361444
SMILES N#CC1=C(N)OC2=C(C31c1cc(C)cc4c1N(C3=O)C1(CCCCCC1)CC4(C)C)C(=O)CCC2
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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 C29H33N3O3 MW 471.60 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H33N3O3/c1-17-13-18-24-19(14-17)29(20(15-30)25(31)35-22-10-8-9-21(33)23(22)29)26(34)32(24)28(16-27(18,2)3)11-6-4-5-7-12-28/h13-14H,4-12,16,31H2,1-3H3InChIKey
FXXIEUHNLPMOGU-UHFFFAOYSA-NSynonyms
2amino668trimethyl25dioxo556678hexahydrodispiro(chromene41pyrrolo(321ij)quinoline41cycloheptane)3carbonitrile
CC1=CC2=C3C(=C1)C4(C(=C(OC5=C4C(=O)CCC5)N)C#N)C(=O)N3C6(CCCCCC6)CC2(C)C
InChI=1SC29H33N3O3c11713182419(1417)29(20(1530)25(31)3522108921(33)23(22)29)26(34)32(24)28(1627(182)3)1164571228h1314H4121631H213H3
MFCD08087972
ZINC000014162361
ZINC000014162364
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