Vitas-M small molecule compound

(1S,2Z,5R)-2-{1-[(3-chlorophenyl)amino]ethylidene}-6,6-dimethylbicyclo[3.1.0]hexan-3-one

Catalog ID
STL527794
SMILES Clc1cccc(c1)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 C16H18ClNO MW 275.78 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H18ClNO/c1-9(18-11-6-4-5-10(17)7-11)14-13(19)8-12-15(14)16(12,2)3/h4-7,12,15,18H,8H2,1-3H3/b14-9+/t12-,15-/m1/s1
InChIKey
XDODUAVLONYHLS-BZOBAROVSA-N
Synonyms

(1~(S)2~(Z)5~(R))2(1(3chloroanilino)ethylidene)66dimethylbicyclo(310)hexan3one
(1R4Z5S)4(1(3CHLOROANILINO)ETHYLIDENE)66DIMETHYLBICYCLO(310)HEXAN3ONE
(1S2Z5R)2(1((3chlorophenyl)amino)ethylidene)66dimethylbicyclo(310)hexan3one
(1S5RZ)2(1((3chlorophenyl)amino)ethylidene)66dimethylbicyclo(310)hexan3one
7083166
Clc1cccc(c1)NC(=C1C(=O)C(C@@H)2(C@H)1C2(C)C)C
InChI=1SC16H18ClNOc19(181164510(17)711)1413(19)81215(14)16(122)3h47121518H8H213H3b149+t1215m1s1
MFCD03662104
ZINC000100751072
ZINC100751072

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Available files

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