Vitas-M small molecule compound

(1S,2Z,5R)-2-(1-{[2-(3,4-dimethoxyphenyl)ethyl]amino}ethylidene)-6,6-dimethylbicyclo[3.1.0]hexan-3-one

Catalog ID
STL562735
SMILES COc1cc(CCN/C(=C/2\C(=O)C[C@@H]3[C@H]2C3(C)C)/C)ccc1OC

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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 C20H27NO3 MW 329.44 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H27NO3/c1-12(18-15(22)11-14-19(18)20(14,2)3)21-9-8-13-6-7-16(23-4)17(10-13)24-5/h6-7,10,14,19,21H,8-9,11H2,1-5H3/b18-12+/t14-,19-/m1/s1
InChIKey
XIURQJMAEMJWEL-YUIXEQDVSA-N
Synonyms

(1S2Z5R)2(1((2(34dimethoxyphenyl)ethyl)amino)ethylidene)66dimethylbicyclo(310)hexan3one
(1S2Z5R)2(1(2(34dimethoxyphenyl)ethylamino)ethylidene)66dimethylbicyclo(310)hexan3one
(1S5RZ)2(1((34dimethoxyphenethyl)amino)ethylidene)66dimethylbicyclo(310)hexan3one
16398352
COc1cc(CCNC(=C2C(=O)C(C@@H)3(C@H)2C3(C)C)C)ccc1OC
InChI=1SC20H27NO3c112(1815(22)111419(18)20(142)3)2198136716(234)17(1013)245h6710141921H8911H215H3b1812+t1419m1s1
MFCD32651349
ZINC000100750846

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Available files

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