Vitas-M small molecule compound

7-({(1Z)-1-[(1S,5R)-6,6-dimethyl-3-oxobicyclo[3.1.0]hex-2-ylidene]ethyl}amino)-4-methyl-2H-chromen-2-one

Catalog ID
STL527850
SMILES O=c1cc(C)c2c(o1)cc(cc2)N/C(=C/1\C(=O)C[C@@H]2[C@H]1C2(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 C20H21NO3 MW 323.39 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H21NO3/c1-10-7-17(23)24-16-8-12(5-6-13(10)16)21-11(2)18-15(22)9-14-19(18)20(14,3)4/h5-8,14,19,21H,9H2,1-4H3/b18-11+/t14-,19-/m1/s1
InChIKey
YASKTEISDAHBCW-LLQVOFOBSA-N
Synonyms

7(((1~(Z))1((1~(S)5~(R))66dimethyl3oxo2bicyclo(310)hexanylidene)ethyl)amino)4methylchromen2one
7(((1Z)1((1R5S)66DIMETHYL3OXO4BICYCLO(310)HEXANYLIDENE)ETHYL)AMINO)4METHYLCHROMEN2ONE
7(((1Z)1((1S5R)66dimethyl3oxobicyclo(310)hex2ylidene)ethyl)amino)4methyl2Hchromen2one
7(((Z)1((1S5R)66dimethyl3oxobicyclo(310)hexan2ylidene)ethyl)amino)4methyl2Hchromen2one
7069598
InChI=1SC20H21NO3c110717(23)2416812(5613(10)16)2111(2)1815(22)91419(18)20(143)4h58141921H9H214H3b1811+t1419m1s1
MFCD03661738
O=c1cc(C)c2c(o1)cc(cc2)NC(=C1C(=O)C(C@@H)2(C@H)1C2(C)C)C
ZINC000100750775
ZINC100750775

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Available files

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