Vitas-M small molecule compound
(1R,4E,5S)-4-[(acetyloxy)imino]-3,6,6-trimethylbicyclo[3.1.0]hex-2-ene-2-carbonitrile
Catalog ID
STL524865
SMILES N#CC1=C(C)/C(=N/OC(=O)C)/[C@H]2[C@@H]1C2(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 C12H14N2O2 MW 218.26 g/mol Purity >90% as per NMR
InChI
InChI=1S/C12H14N2O2/c1-6-8(5-13)9-10(12(9,3)4)11(6)14-16-7(2)15/h9-10H,1-4H3/b14-11-/t9-,10-/m1/s1InChIKey
YGSGVWNRWQKRTK-IUVOVWGLSA-NSynonyms
((~(E))((1~(S)5~(R))4cyano366trimethyl2bicyclo(310)hex3enylidene)amino)acetate
((E)((1R5S)2CYANO366TRIMETHYL4BICYCLO(310)HEX2ENYLIDENE)AMINO)ACETATE
(1R4E5S)4((acetyloxy)imino)366trimethylbicyclo(310)hex2ene2carbonitrile
(1R5SE)4(acetoxyimino)366trimethylbicyclo(310)hex2ene2carbonitrile
7065412
InChI=1SC12H14N2O2c168(513)910(12(93)4)11(6)14167(2)15h910H14H3b1411t910m1s1
MFCD01455073
N#CC1=C(C)C(=NOC(=O)C)(C@H)2(C@@H)1C2(C)C
ZINC000005008814
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