Vitas-M small molecule compound
2-amino-6',6'-dimethyl-2',5-dioxo-5,5',6,6',7,8-hexahydrodispiro[chromene-4,1'-pyrrolo[3,2,1-ij]quinoline-4',1''-cyclohexane]-3-carbonitrile
Catalog ID
STL361443
SMILES N#CC1=C(N)OC2=C(C31c1cccc4c1N(C3=O)C1(CCCCC1)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 C27H29N3O3 MW 443.55 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H29N3O3/c1-25(2)15-26(12-4-3-5-13-26)30-22-16(25)8-6-9-17(22)27(24(30)32)18(14-28)23(29)33-20-11-7-10-19(31)21(20)27/h6,8-9H,3-5,7,10-13,15,29H2,1-2H3InChIKey
DYPWNFLFWCPCDR-UHFFFAOYSA-NSynonyms
2amino66dimethyl25dioxo556678hexahydrodispiro(chromene41pyrrolo(321ij)quinoline41cyclohexane)3carbonitrile
CC1(CC2(CCCCC2)N3C4=C(C=CC=C41)C5(C3=O)C(=C(OC6=C5C(=O)CCC6)N)C#N)C
InChI=1SC27H29N3O3c125(2)1526(124351326)302216(25)86917(22)27(24(30)32)18(1428)23(29)33201171019(31)21(20)27h689H35710131529H212H3
MFCD08087971
ZINC000014162355
ZINC000014162358
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