Vitas-M small molecule compound

(1S,2Z,5R)-2-(1-{[1,3-dihydroxy-1-(4-nitrophenyl)propan-2-yl]amino}ethylidene)-6,6-dimethylbicyclo[3.1.0]hexan-3-one

Catalog ID
STL527810
SMILES OCC(C(c1ccc(cc1)[N+](=O)[O-])O)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 C19H24N2O5 MW 360.41 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H24N2O5/c1-10(16-15(23)8-13-17(16)19(13,2)3)20-14(9-22)18(24)11-4-6-12(7-5-11)21(25)26/h4-7,13-14,17-18,20,22,24H,8-9H2,1-3H3/b16-10+/t13-,14?,17-,18?/m1/s1
InChIKey
WXEVZMZTHQDYCI-ZIWIFIJCSA-N
Synonyms
530085-20-2
(1~(S)2~(Z)5~(R))2(1((13dihydroxy1(4nitrophenyl)propan2yl)amino)ethylidene)66dimethylbicyclo(310)hexan3one
(1S2Z5R)2(1((13dihydroxy1(4nitrophenyl)propan2yl)amino)ethylidene)66dimethylbicyclo(310)hexan3one
(1S5RZ)2(1((13dihydroxy1(4nitrophenyl)propan2yl)amino)ethylidene)66dimethylbicyclo(310)hexan3one
16398234
530085202
InChI=1SC19H24N2O5c110(1615(23)81317(16)19(132)3)2014(922)18(24)114612(7511)21(25)26h4713141718202224H89H213H3b1610+t1314?1718?m1s1
MFCD03661221
OCC(C(c1ccc(cc1)(N+)(=O)(O))O)NC(=C1C(=O)C(C@@H)2(C@H)1C2(C)C)C
ZINC000100750211
ZINC000100750217

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Available files

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