Vitas-M small molecule compound
2-amino-6',6',7,7-tetramethyl-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
STL361436
SMILES N#CC1=C(N)OC2=C(C31c1cccc4c1N(C3=O)C1(CCCCC1)CC4(C)C)C(=O)CC(C2)(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 C29H33N3O3 MW 471.60 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H33N3O3/c1-26(2)13-20(33)22-21(14-26)35-24(31)19(15-30)29(22)18-10-8-9-17-23(18)32(25(29)34)28(16-27(17,3)4)11-6-5-7-12-28/h8-10H,5-7,11-14,16,31H2,1-4H3InChIKey
KQDYZPJWRNVHSN-UHFFFAOYSA-NSynonyms
2amino6677tetramethyl25dioxo556678hexahydrodispiro(chromene41pyrrolo(321ij)quinoline41cyclohexane)3carbonitrile
CC1(CC2=C(C(=O)C1)C3(C4=C5C(=CC=C4)C(CC6(N5C3=O)CCCCC6)(C)C)C(=C(O2)N)C#N)C
InChI=1SC29H33N3O3c126(2)1320(33)2221(1426)3524(31)19(1530)29(22)1810891723(18)32(25(29)34)28(1627(173)4)116571228h810H5711141631H214H3
MFCD08087960
ZINC000014162280
ZINC000014162283
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